N-butyl-3,4-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]benzamide

C32H36F2N4O — CID 20800941

IUPACN-butyl-3,4-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]benzamide
SMILESCCCCN(Cc1nc2ccccc2n1Cc1ccccc1CN1CCCCC1)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C32H36F2N4O/c1-2-3-19-37(32(39)24-15-16-27(33)28(34)20-24)23-31-35-29-13-7-8-14-30(29)38(31)22-26-12-6-5-11-25(26)21-36-17-9-4-10-18-36/h5-8,11-16,20H,2-4,9-10,17-19,21-23H2,1H3
InChIKeyJMDIZWNJCNEBBS-UHFFFAOYSA-N
MW530.66 g/mol
LogP6.79
Rot. Bonds10

About N-butyl-3,4-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]benzamide

N-butyl-3,4-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 20800941) has the molecular formula C32H36F2N4O and a molecular weight of 530.66 g/mol. Its IUPAC name is N-butyl-3,4-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-butyl-3,4-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID20800941
Molecular FormulaC32H36F2N4O
Molecular Weight530.66 g/mol
Exact Mass530.29
IUPAC NameN-butyl-3,4-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]benzamide
SMILESCCCCN(Cc1nc2ccccc2n1Cc1ccccc1CN1CCCCC1)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C32H36F2N4O/c1-2-3-19-37(32(39)24-15-16-27(33)28(34)20-24)23-31-35-29-13-7-8-14-30(29)38(31)22-26-12-6-5-11-25(26)21-36-17-9-4-10-18-36/h5-8,11-16,20H,2-4,9-10,17-19,21-23H2,1H3
InChIKeyJMDIZWNJCNEBBS-UHFFFAOYSA-N
XLogP6.79
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.66
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-butyl-3,4-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]benzamide with MolForge

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Related Compounds

N-butyl-5-fluoro-2-methyl-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]benzenesulfonamide
CID 10153024
N-benzyl-3,4-difluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734329
N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide
CID 18733466
2-chloro-N-(2-methylpropyl)-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-5-(trifluoromethyl)benzamide
CID 20800927
N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propylbenzimidazole-5-carboxamide
CID 58770936
N-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide
CID 18733345
2-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
CID 23609975
N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide
CID 18734478
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734535
N-butyl-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734407
N-butyl-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-fluorobenzamide
CID 18734496
N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 18734542

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,4-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of N-butyl-3,4-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]benzamide (CID 20800941) is N-butyl-3,4-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-butyl-3,4-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for N-butyl-3,4-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]benzamide is CCCCN(Cc1nc2ccccc2n1Cc1ccccc1CN1CCCCC1)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-butyl-3,4-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is JMDIZWNJCNEBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36F2N4O/c1-2-3-19-37(32(39)24-15-16-27(33)28(34)20-24)23-31-35-29-13-7-8-14-30(29)38(31)22-26-12-6-5-11-25(26)21-36-17-9-4-10-18-36/h5-8,11-16,20H,2-4,9-10,17-19,21-23H2,1H3.
What are the key properties of N-butyl-3,4-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]benzamide?
N-butyl-3,4-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 530.66 g/mol, XLogP of 6.79, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,4-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 20800941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).