N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide;2,5-difluoro-N-(2-methylpropyl)-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide;3-fluoro-N-propyl-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide

C111H144F6N16O4S2 — CID 161344349

IUPACN-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide;2,5-difluoro-N-(2-methylpropyl)-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide;3-fluoro-N-propyl-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide
SMILESCCCN(Cc1nc2cc(CN3CCSCC3)ccc2n1CCC)C(=O)c1cccc(F)c1.CCCn1c(CN(CC(C)C)C(=O)c2cc(F)ccc2F)nc2cc(CN3CCCCCC3)ccc21.CCCn1c(CN(CC(C)C)C(=O)c2cc(F)ccc2F)nc2cc(CN3CCSCC3)ccc21.CCCn1c(CN(CC(C)C)C(=O)c2cccc(F)c2)nc2cc(CN3CCCCCC3)ccc21
InChIInChI=1S/C29H38F2N4O.C29H39FN4O.C27H34F2N4OS.C26H33FN4OS/c1-4-13-35-27-12-9-22(19-33-14-7-5-6-8-15-33)16-26(27)32-28(35)20-34(18-21(2)3)29(36)24-17-23(30)10-11-25(24)31;1-4-14-34-27-13-12-23(20-32-15-7-5-6-8-16-32)17-26(27)31-28(34)21-33(19-22(2)3)29(35)24-10-9-11-25(30)18-24;1-4-9-33-25-8-5-20(17-31-10-12-35-13-11-31)14-24(25)30-26(33)18-32(16-19(2)3)27(34)22-15-21(28)6-7-23(22)29;1-3-10-30(26(32)21-6-5-7-22(27)17-21)19-25-28-23-16-20(18-29-12-14-33-15-13-29)8-9-24(23)31(25)11-4-2/h9-12,16-17,21H,4-8,13-15,18-20H2,1-3H3;9-13,17-18,22H,4-8,14-16,19-21H2,1-3H3;5-8,14-15,19H,4,9-13,16-18H2,1-3H3;5-9,16-17H,3-4,10-15,18-19H2,1-2H3
InChIKeyVNCDREVXCXNBNA-UHFFFAOYSA-N
MW1944.60 g/mol
LogP23.42
Rot. Bonds36

About N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide;2,5-difluoro-N-(2-methylpropyl)-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide;3-fluoro-N-propyl-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide

N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide;2,5-difluoro-N-(2-methylpropyl)-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide;3-fluoro-N-propyl-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide (PubChem CID 161344349) has the molecular formula C111H144F6N16O4S2 and a molecular weight of 1944.60 g/mol. Its IUPAC name is N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide;2,5-difluoro-N-(2-methylpropyl)-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide;3-fluoro-N-propyl-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide;2,5-difluoro-N-(2-methylpropyl)-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide;3-fluoro-N-propyl-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide
PubChem CID161344349
Molecular FormulaC111H144F6N16O4S2
Molecular Weight1944.60 g/mol
Exact Mass1943.09
IUPAC NameN-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide;2,5-difluoro-N-(2-methylpropyl)-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide;3-fluoro-N-propyl-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide
SMILESCCCN(Cc1nc2cc(CN3CCSCC3)ccc2n1CCC)C(=O)c1cccc(F)c1.CCCn1c(CN(CC(C)C)C(=O)c2cc(F)ccc2F)nc2cc(CN3CCCCCC3)ccc21.CCCn1c(CN(CC(C)C)C(=O)c2cc(F)ccc2F)nc2cc(CN3CCSCC3)ccc21.CCCn1c(CN(CC(C)C)C(=O)c2cccc(F)c2)nc2cc(CN3CCCCCC3)ccc21
InChIInChI=1S/C29H38F2N4O.C29H39FN4O.C27H34F2N4OS.C26H33FN4OS/c1-4-13-35-27-12-9-22(19-33-14-7-5-6-8-15-33)16-26(27)32-28(35)20-34(18-21(2)3)29(36)24-17-23(30)10-11-25(24)31;1-4-14-34-27-13-12-23(20-32-15-7-5-6-8-16-32)17-26(27)31-28(34)21-33(19-22(2)3)29(35)24-10-9-11-25(30)18-24;1-4-9-33-25-8-5-20(17-31-10-12-35-13-11-31)14-24(25)30-26(33)18-32(16-19(2)3)27(34)22-15-21(28)6-7-23(22)29;1-3-10-30(26(32)21-6-5-7-22(27)17-21)19-25-28-23-16-20(18-29-12-14-33-15-13-29)8-9-24(23)31(25)11-4-2/h9-12,16-17,21H,4-8,13-15,18-20H2,1-3H3;9-13,17-18,22H,4-8,14-16,19-21H2,1-3H3;5-8,14-15,19H,4,9-13,16-18H2,1-3H3;5-9,16-17H,3-4,10-15,18-19H2,1-2H3
InChIKeyVNCDREVXCXNBNA-UHFFFAOYSA-N
XLogP23.42
TPSA165.48 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds36
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001944.60
LogP ≤ 523.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide;2,5-difluoro-N-(2-methylpropyl)-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide;3-fluoro-N-propyl-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide with MolForge

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Related Compounds

2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 18732565
N-[[5-(ethylaminomethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 18733663
N-[[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-3-fluoro-N-propylbenzamide
CID 18733597
3-fluoro-N-[[5-[(3-methylbutylamino)methyl]-1-propylbenzimidazol-2-yl]methyl]-N-propylbenzamide
CID 18733047
N-[[5-[[butyl(methyl)amino]methyl]-1-propylbenzimidazol-2-yl]methyl]-3-fluoro-N-propylbenzamide
CID 18733631
3-fluoro-N-(2-methylpropyl)-N-[[5-[(3-morpholin-4-ylpropylamino)methyl]-1-propylbenzimidazol-2-yl]methyl]benzamide
CID 18733075
3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 18733036
N-[[5-[[ethyl(pentyl)amino]methyl]-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-propylbenzamide
CID 18733670
3-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;4-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;4-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;4-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 159808543
2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732577
2,3,6-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 18732433
N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide
CID 18733828

Frequently Asked Questions

What is the IUPAC name of N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide;2,5-difluoro-N-(2-methylpropyl)-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide;3-fluoro-N-propyl-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide;2,5-difluoro-N-(2-methylpropyl)-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide;3-fluoro-N-propyl-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide (CID 161344349) is N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide;2,5-difluoro-N-(2-methylpropyl)-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide;3-fluoro-N-propyl-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide;2,5-difluoro-N-(2-methylpropyl)-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide;3-fluoro-N-propyl-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide;2,5-difluoro-N-(2-methylpropyl)-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide;3-fluoro-N-propyl-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide is CCCN(Cc1nc2cc(CN3CCSCC3)ccc2n1CCC)C(=O)c1cccc(F)c1.CCCn1c(CN(CC(C)C)C(=O)c2cc(F)ccc2F)nc2cc(CN3CCCCCC3)ccc21.CCCn1c(CN(CC(C)C)C(=O)c2cc(F)ccc2F)nc2cc(CN3CCSCC3)ccc21.CCCn1c(CN(CC(C)C)C(=O)c2cccc(F)c2)nc2cc(CN3CCCCCC3)ccc21.
What is the InChIKey of N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide;2,5-difluoro-N-(2-methylpropyl)-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide;3-fluoro-N-propyl-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide?
The InChIKey is VNCDREVXCXNBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38F2N4O.C29H39FN4O.C27H34F2N4OS.C26H33FN4OS/c1-4-13-35-27-12-9-22(19-33-14-7-5-6-8-15-33)16-26(27)32-28(35)20-34(18-21(2)3)29(36)24-17-23(30)10-11-25(24)31;1-4-14-34-27-13-12-23(20-32-15-7-5-6-8-16-32)17-26(27)31-28(34)21-33(19-22(2)3)29(35)24-10-9-11-25(30)18-24;1-4-9-33-25-8-5-20(17-31-10-12-35-13-11-31)14-24(25)30-26(33)18-32(16-19(2)3)27(34)22-15-21(28)6-7-23(22)29;1-3-10-30(26(32)21-6-5-7-22(27)17-21)19-25-28-23-16-20(18-29-12-14-33-15-13-29)8-9-24(23)31(25)11-4-2/h9-12,16-17,21H,4-8,13-15,18-20H2,1-3H3;9-13,17-18,22H,4-8,14-16,19-21H2,1-3H3;5-8,14-15,19H,4,9-13,16-18H2,1-3H3;5-9,16-17H,3-4,10-15,18-19H2,1-2H3.
What are the key properties of N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide;2,5-difluoro-N-(2-methylpropyl)-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide;3-fluoro-N-propyl-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide?
N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide;2,5-difluoro-N-(2-methylpropyl)-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide;3-fluoro-N-propyl-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide has a molecular weight of 1944.60 g/mol, XLogP of 23.42, 36 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[[5-(azepan-1-ylmethyl)-1-propylbenzimidazol-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide;2,5-difluoro-N-(2-methylpropyl)-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide;3-fluoro-N-propyl-N-[[1-propyl-5-(thiomorpholin-4-ylmethyl)benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 161344349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).