N-[[5-(ethylaminomethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide

C25H32F2N4O — CID 18733663

IUPACN-[[5-(ethylaminomethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide
SMILESCCCn1c(CN(CC(C)C)C(=O)c2cc(F)ccc2F)nc2cc(CNCC)ccc21
InChIInChI=1S/C25H32F2N4O/c1-5-11-31-23-10-7-18(14-28-6-2)12-22(23)29-24(31)16-30(15-17(3)4)25(32)20-13-19(26)8-9-21(20)27/h7-10,12-13,17,28H,5-6,11,14-16H2,1-4H3
InChIKeyKSEAPZLWNFPNSZ-UHFFFAOYSA-N
MW442.55 g/mol
LogP5.13
Rot. Bonds10

About N-[[5-(ethylaminomethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide

N-[[5-(ethylaminomethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide (PubChem CID 18733663) has the molecular formula C25H32F2N4O and a molecular weight of 442.55 g/mol. Its IUPAC name is N-[[5-(ethylaminomethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[[5-(ethylaminomethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide
PubChem CID18733663
Molecular FormulaC25H32F2N4O
Molecular Weight442.55 g/mol
Exact Mass442.25
IUPAC NameN-[[5-(ethylaminomethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide
SMILESCCCn1c(CN(CC(C)C)C(=O)c2cc(F)ccc2F)nc2cc(CNCC)ccc21
InChIInChI=1S/C25H32F2N4O/c1-5-11-31-23-10-7-18(14-28-6-2)12-22(23)29-24(31)16-30(15-17(3)4)25(32)20-13-19(26)8-9-21(20)27/h7-10,12-13,17,28H,5-6,11,14-16H2,1-4H3
InChIKeyKSEAPZLWNFPNSZ-UHFFFAOYSA-N
XLogP5.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.55
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 18732565
N-[[5-[[ethyl(pentyl)amino]methyl]-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-propylbenzamide
CID 18733670
3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 18733036
3-fluoro-N-[[5-[(3-methylbutylamino)methyl]-1-propylbenzimidazol-2-yl]methyl]-N-propylbenzamide
CID 18733047
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
3-fluoro-N-(2-methylpropyl)-N-[[5-[(3-morpholin-4-ylpropylamino)methyl]-1-propylbenzimidazol-2-yl]methyl]benzamide
CID 18733075
2,3,6-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 18732433
2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732577
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-3-carboxamide
CID 18734022
N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide
CID 18733321
N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734629
3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 18732740

Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethylaminomethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[[5-(ethylaminomethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide (CID 18733663) is N-[[5-(ethylaminomethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[[5-(ethylaminomethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[[5-(ethylaminomethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide is CCCn1c(CN(CC(C)C)C(=O)c2cc(F)ccc2F)nc2cc(CNCC)ccc21.
What is the InChIKey of N-[[5-(ethylaminomethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide?
The InChIKey is KSEAPZLWNFPNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2N4O/c1-5-11-31-23-10-7-18(14-28-6-2)12-22(23)29-24(31)16-30(15-17(3)4)25(32)20-13-19(26)8-9-21(20)27/h7-10,12-13,17,28H,5-6,11,14-16H2,1-4H3.
What are the key properties of N-[[5-(ethylaminomethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide?
N-[[5-(ethylaminomethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide has a molecular weight of 442.55 g/mol, XLogP of 5.13, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(ethylaminomethyl)-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 18733663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).