N-[[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide

C21H28N4O2 — CID 16969925

IUPACN-[[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1nc2ccccc2n1CCC(=O)N1CCCCCC1)C1CC1
InChIInChI=1S/C21H28N4O2/c26-20(24-12-5-1-2-6-13-24)11-14-25-18-8-4-3-7-17(18)23-19(25)15-22-21(27)16-9-10-16/h3-4,7-8,16H,1-2,5-6,9-15H2,(H,22,27)
InChIKeyGVARWCJWFRNECD-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.86
Rot. Bonds6

About N-[[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide

N-[[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 16969925) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
PubChem CID16969925
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1nc2ccccc2n1CCC(=O)N1CCCCCC1)C1CC1
InChIInChI=1S/C21H28N4O2/c26-20(24-12-5-1-2-6-13-24)11-14-25-18-8-4-3-7-17(18)23-19(25)15-22-21(27)16-9-10-16/h3-4,7-8,16H,1-2,5-6,9-15H2,(H,22,27)
InChIKeyGVARWCJWFRNECD-UHFFFAOYSA-N
XLogP2.86
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16989093
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969793
N-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 16968415
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981751
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969825
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 16968451
N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975852
N-[[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]acetamide
CID 17006020
N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980349
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981590
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17006753

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide (CID 16969925) is N-[[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide is O=C(NCc1nc2ccccc2n1CCC(=O)N1CCCCCC1)C1CC1.
What is the InChIKey of N-[[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is GVARWCJWFRNECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c26-20(24-12-5-1-2-6-13-24)11-14-25-18-8-4-3-7-17(18)23-19(25)15-22-21(27)16-9-10-16/h3-4,7-8,16H,1-2,5-6,9-15H2,(H,22,27).
What are the key properties of N-[[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide?
N-[[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 16969925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).