(2R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-1-methylazepane-2-carboxamide

C18H26N4O2 — CID 97113385

IUPAC(2R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-1-methylazepane-2-carboxamide
SMILESCN1CCCCC[C@@H]1C(=O)NCc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C18H26N4O2/c1-20-10-6-4-5-7-15(20)17(23)19-12-13-8-9-14-16(11-13)22(3)18(24)21(14)2/h8-9,11,15H,4-7,10,12H2,1-3H3,(H,19,23)/t15-/m1/s1
InChIKeySADNTIFYYGOJDK-OAHLLOKOSA-N
MW330.43 g/mol
LogP1.37
Rot. Bonds3

About (2R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-1-methylazepane-2-carboxamide

(2R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-1-methylazepane-2-carboxamide (PubChem CID 97113385) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-1-methylazepane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-1-methylazepane-2-carboxamide
PubChem CID97113385
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(2R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-1-methylazepane-2-carboxamide
SMILESCN1CCCCC[C@@H]1C(=O)NCc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C18H26N4O2/c1-20-10-6-4-5-7-15(20)17(23)19-12-13-8-9-14-16(11-13)22(3)18(24)21(14)2/h8-9,11,15H,4-7,10,12H2,1-3H3,(H,19,23)/t15-/m1/s1
InChIKeySADNTIFYYGOJDK-OAHLLOKOSA-N
XLogP1.37
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide
CID 110785342
N-[(3,4-difluorophenyl)methyl]-1-methylazepane-2-carboxamide
CID 72877122
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]oxolane-2-carboxamide
CID 110785343
(2S)-N-[(4-bromophenyl)methyl]-1-methylpyrrolidine-2-carboxamide
CID 146358139
5-[(cycloheptylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 6471863
N-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide
CID 110851630
1-methyl-N-[(3-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 146358334
N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide
CID 110851383
N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]cyclopentanecarboxamide
CID 110786846
(2R)-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methylazepane-2-carboxamide
CID 97193200
1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-propylurea
CID 110775432
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide
CID 110785359

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-1-methylazepane-2-carboxamide?
The IUPAC name of (2R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-1-methylazepane-2-carboxamide (CID 97113385) is (2R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-1-methylazepane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-1-methylazepane-2-carboxamide?
The canonical SMILES for (2R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-1-methylazepane-2-carboxamide is CN1CCCCC[C@@H]1C(=O)NCc1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of (2R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-1-methylazepane-2-carboxamide?
The InChIKey is SADNTIFYYGOJDK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-20-10-6-4-5-7-15(20)17(23)19-12-13-8-9-14-16(11-13)22(3)18(24)21(14)2/h8-9,11,15H,4-7,10,12H2,1-3H3,(H,19,23)/t15-/m1/s1.
What are the key properties of (2R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-1-methylazepane-2-carboxamide?
(2R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-1-methylazepane-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-1-methylazepane-2-carboxamide is sourced from PubChem (CID 97113385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).