N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]benzamide

C25H30N4O2 — CID 16975852

IUPACN-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc2ccccc2n1CCC(=O)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C25H30N4O2/c30-24(28-17-8-1-2-9-18-28)15-19-29-22-13-7-6-12-21(22)27-23(29)14-16-26-25(31)20-10-4-3-5-11-20/h3-7,10-13H,1-2,8-9,14-19H2,(H,26,31)
InChIKeyGWBTWOZAYWGIBB-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.80
Rot. Bonds7

About N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]benzamide

N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16975852) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID16975852
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc2ccccc2n1CCC(=O)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C25H30N4O2/c30-24(28-17-8-1-2-9-18-28)15-19-29-22-13-7-6-12-21(22)27-23(29)14-16-26-25(31)20-10-4-3-5-11-20/h3-7,10-13H,1-2,8-9,14-19H2,(H,26,31)
InChIKeyGWBTWOZAYWGIBB-UHFFFAOYSA-N
XLogP3.80
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964378
N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]-3,4-dimethoxybenzamide
CID 16976965
N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980349
N-[3-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]propyl]-3-chlorobenzamide
CID 16983608
N-[2-[1-(3-amino-3-oxopropyl)benzimidazol-2-yl]ethyl]benzamide
CID 51532359
3-bromo-N-[2-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16977876
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17006753
3-bromo-N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16977875
N-[5-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]pentyl]-3,4,5-trimethoxybenzamide
CID 16991199
N-[5-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]pentyl]-2-ethylbutanamide
CID 16988607
N-[5-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16989093
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16975728

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]benzamide (CID 16975852) is N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]benzamide is O=C(NCCc1nc2ccccc2n1CCC(=O)N1CCCCCC1)c1ccccc1.
What is the InChIKey of N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is GWBTWOZAYWGIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c30-24(28-17-8-1-2-9-18-28)15-19-29-22-13-7-6-12-21(22)27-23(29)14-16-26-25(31)20-10-4-3-5-11-20/h3-7,10-13H,1-2,8-9,14-19H2,(H,26,31).
What are the key properties of N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]benzamide?
N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 418.54 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16975852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).