N-(1,2-diethylbenzimidazol-5-yl)-1-methylazepane-2-carboxamide

C19H28N4O — CID 131891899

IUPACN-(1,2-diethylbenzimidazol-5-yl)-1-methylazepane-2-carboxamide
SMILESCCc1nc2cc(NC(=O)C3CCCCCN3C)ccc2n1CC
InChIInChI=1S/C19H28N4O/c1-4-18-21-15-13-14(10-11-16(15)23(18)5-2)20-19(24)17-9-7-6-8-12-22(17)3/h10-11,13,17H,4-9,12H2,1-3H3,(H,20,24)
InChIKeySLMFVOBIFNNTPR-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.43
Rot. Bonds4

About N-(1,2-diethylbenzimidazol-5-yl)-1-methylazepane-2-carboxamide

N-(1,2-diethylbenzimidazol-5-yl)-1-methylazepane-2-carboxamide (PubChem CID 131891899) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(1,2-diethylbenzimidazol-5-yl)-1-methylazepane-2-carboxamide.

Molecular Properties

Compound NameN-(1,2-diethylbenzimidazol-5-yl)-1-methylazepane-2-carboxamide
PubChem CID131891899
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-(1,2-diethylbenzimidazol-5-yl)-1-methylazepane-2-carboxamide
SMILESCCc1nc2cc(NC(=O)C3CCCCCN3C)ccc2n1CC
InChIInChI=1S/C19H28N4O/c1-4-18-21-15-13-14(10-11-16(15)23(18)5-2)20-19(24)17-9-7-6-8-12-22(17)3/h10-11,13,17H,4-9,12H2,1-3H3,(H,20,24)
InChIKeySLMFVOBIFNNTPR-UHFFFAOYSA-N
XLogP3.43
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethyl-2-methylindol-5-yl)-1-methylazepane-2-carboxamide
CID 131946732
2-cyclopropyl-N-(1,2-diethylbenzimidazol-5-yl)pyrimidine-5-carboxamide
CID 131921782
N-(1,2-diethylbenzimidazol-5-yl)-1-methylindole-6-carboxamide
CID 131947501
1-(1,2-diethylbenzimidazol-5-yl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)urea
CID 118782849
N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]pentanamide
CID 23612860
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611154
N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide
CID 23612865
1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]azepane-2-carboxamide
CID 131900931
N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 17218678
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]acetamide
CID 17235989
N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611214
N-(1,2-diethylbenzimidazol-5-yl)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide
CID 46971884

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diethylbenzimidazol-5-yl)-1-methylazepane-2-carboxamide?
The IUPAC name of N-(1,2-diethylbenzimidazol-5-yl)-1-methylazepane-2-carboxamide (CID 131891899) is N-(1,2-diethylbenzimidazol-5-yl)-1-methylazepane-2-carboxamide.
What is the SMILES notation for N-(1,2-diethylbenzimidazol-5-yl)-1-methylazepane-2-carboxamide?
The canonical SMILES for N-(1,2-diethylbenzimidazol-5-yl)-1-methylazepane-2-carboxamide is CCc1nc2cc(NC(=O)C3CCCCCN3C)ccc2n1CC.
What is the InChIKey of N-(1,2-diethylbenzimidazol-5-yl)-1-methylazepane-2-carboxamide?
The InChIKey is SLMFVOBIFNNTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-4-18-21-15-13-14(10-11-16(15)23(18)5-2)20-19(24)17-9-7-6-8-12-22(17)3/h10-11,13,17H,4-9,12H2,1-3H3,(H,20,24).
What are the key properties of N-(1,2-diethylbenzimidazol-5-yl)-1-methylazepane-2-carboxamide?
N-(1,2-diethylbenzimidazol-5-yl)-1-methylazepane-2-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diethylbenzimidazol-5-yl)-1-methylazepane-2-carboxamide is sourced from PubChem (CID 131891899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).