N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-chlorobenzamide

C23H25ClN4O2 — CID 17007549

IUPACN-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-chlorobenzamide
SMILESO=C(NCc1nc2ccccc2n1CC(=O)N1CCCCCC1)c1ccccc1Cl
InChIInChI=1S/C23H25ClN4O2/c24-18-10-4-3-9-17(18)23(30)25-15-21-26-19-11-5-6-12-20(19)28(21)16-22(29)27-13-7-1-2-8-14-27/h3-6,9-12H,1-2,7-8,13-16H2,(H,25,30)
InChIKeyFQVLRVMYRBAWMB-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.02
Rot. Bonds5

About N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-chlorobenzamide

N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-chlorobenzamide (PubChem CID 17007549) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-chlorobenzamide
PubChem CID17007549
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC NameN-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-chlorobenzamide
SMILESO=C(NCc1nc2ccccc2n1CC(=O)N1CCCCCC1)c1ccccc1Cl
InChIInChI=1S/C23H25ClN4O2/c24-18-10-4-3-9-17(18)23(30)25-15-21-26-19-11-5-6-12-20(19)28(21)16-22(29)27-13-7-1-2-8-14-27/h3-6,9-12H,1-2,7-8,13-16H2,(H,25,30)
InChIKeyFQVLRVMYRBAWMB-UHFFFAOYSA-N
XLogP4.02
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17006753
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966639
N-[[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]acetamide
CID 17006020
2-(2-chlorophenyl)-N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16979371
2-chloro-N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007564
N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16973964
2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007409
2-chloro-N-[[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007545
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008656
2-(2-chlorophenyl)-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993786
(Z)-N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970891
2-chloro-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]benzamide
CID 17007455

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-chlorobenzamide?
The IUPAC name of N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-chlorobenzamide (CID 17007549) is N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-chlorobenzamide.
What is the SMILES notation for N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-chlorobenzamide?
The canonical SMILES for N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-chlorobenzamide is O=C(NCc1nc2ccccc2n1CC(=O)N1CCCCCC1)c1ccccc1Cl.
What is the InChIKey of N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-chlorobenzamide?
The InChIKey is FQVLRVMYRBAWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c24-18-10-4-3-9-17(18)23(30)25-15-21-26-19-11-5-6-12-20(19)28(21)16-22(29)27-13-7-1-2-8-14-27/h3-6,9-12H,1-2,7-8,13-16H2,(H,25,30).
What are the key properties of N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-chlorobenzamide?
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-chlorobenzamide has a molecular weight of 424.93 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-chlorobenzamide is sourced from PubChem (CID 17007549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).