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

C22H25N5O2 — CID 16966639

IUPACN-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1nc2ccccc2n1CC(=O)N1CCCCCC1)c1ccccn1
InChIInChI=1S/C22H25N5O2/c28-21(26-13-7-1-2-8-14-26)16-27-19-11-4-3-9-17(19)25-20(27)15-24-22(29)18-10-5-6-12-23-18/h3-6,9-12H,1-2,7-8,13-16H2,(H,24,29)
InChIKeyOHXIQOMSWZZYIA-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.76
Rot. Bonds5

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

N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide (PubChem CID 16966639) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
PubChem CID16966639
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1nc2ccccc2n1CC(=O)N1CCCCCC1)c1ccccn1
InChIInChI=1S/C22H25N5O2/c28-21(26-13-7-1-2-8-14-26)16-27-19-11-4-3-9-17(19)25-20(27)15-24-22(29)18-10-5-6-12-23-18/h3-6,9-12H,1-2,7-8,13-16H2,(H,24,29)
InChIKeyOHXIQOMSWZZYIA-UHFFFAOYSA-N
XLogP2.76
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966317
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-chlorobenzamide
CID 17007549
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17006753
N-[[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]acetamide
CID 17006020
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966543
N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16973964
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008656
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966506
(Z)-N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970891
2-(2-chlorophenyl)-N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16979371
N-[[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966547
N-[[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966551

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide (CID 16966639) is N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide is O=C(NCc1nc2ccccc2n1CC(=O)N1CCCCCC1)c1ccccn1.
What is the InChIKey of N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
The InChIKey is OHXIQOMSWZZYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-21(26-13-7-1-2-8-14-26)16-27-19-11-4-3-9-17(19)25-20(27)15-24-22(29)18-10-5-6-12-23-18/h3-6,9-12H,1-2,7-8,13-16H2,(H,24,29).
What are the key properties of N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 16966639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).