N-(4-methylazepan-4-yl)-1H-benzimidazole-4-carboxamide

C15H20N4O — CID 69470702

IUPACN-(4-methylazepan-4-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(NC(=O)c2cccc3[nH]cnc23)CCCNCC1
InChIInChI=1S/C15H20N4O/c1-15(6-3-8-16-9-7-15)19-14(20)11-4-2-5-12-13(11)18-10-17-12/h2,4-5,10,16H,3,6-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyGBEUROPDPXEPEO-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.82
Rot. Bonds2

About N-(4-methylazepan-4-yl)-1H-benzimidazole-4-carboxamide

N-(4-methylazepan-4-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 69470702) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(4-methylazepan-4-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylazepan-4-yl)-1H-benzimidazole-4-carboxamide
PubChem CID69470702
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(4-methylazepan-4-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(NC(=O)c2cccc3[nH]cnc23)CCCNCC1
InChIInChI=1S/C15H20N4O/c1-15(6-3-8-16-9-7-15)19-14(20)11-4-2-5-12-13(11)18-10-17-12/h2,4-5,10,16H,3,6-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyGBEUROPDPXEPEO-UHFFFAOYSA-N
XLogP1.82
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylazepan-4-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(4-methylazepan-4-yl)-1H-benzimidazole-4-carboxamide (CID 69470702) is N-(4-methylazepan-4-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(4-methylazepan-4-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(4-methylazepan-4-yl)-1H-benzimidazole-4-carboxamide is CC1(NC(=O)c2cccc3[nH]cnc23)CCCNCC1.
What is the InChIKey of N-(4-methylazepan-4-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is GBEUROPDPXEPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(6-3-8-16-9-7-15)19-14(20)11-4-2-5-12-13(11)18-10-17-12/h2,4-5,10,16H,3,6-9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-(4-methylazepan-4-yl)-1H-benzimidazole-4-carboxamide?
N-(4-methylazepan-4-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylazepan-4-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 69470702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).