1-methyl-N-[2-methyl-4-(morpholine-4-carbonyl)phenyl]benzimidazole-5-carboxamide

C21H22N4O3 — CID 136519385

IUPAC1-methyl-N-[2-methyl-4-(morpholine-4-carbonyl)phenyl]benzimidazole-5-carboxamide
SMILESCc1cc(C(=O)N2CCOCC2)ccc1NC(=O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C21H22N4O3/c1-14-11-16(21(27)25-7-9-28-10-8-25)3-5-17(14)23-20(26)15-4-6-19-18(12-15)22-13-24(19)2/h3-6,11-13H,7-10H2,1-2H3,(H,23,26)
InChIKeyBODLCIDDBCZYAU-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.61
Rot. Bonds3

About 1-methyl-N-[2-methyl-4-(morpholine-4-carbonyl)phenyl]benzimidazole-5-carboxamide

1-methyl-N-[2-methyl-4-(morpholine-4-carbonyl)phenyl]benzimidazole-5-carboxamide (PubChem CID 136519385) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-methyl-N-[2-methyl-4-(morpholine-4-carbonyl)phenyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-methyl-4-(morpholine-4-carbonyl)phenyl]benzimidazole-5-carboxamide
PubChem CID136519385
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-methyl-N-[2-methyl-4-(morpholine-4-carbonyl)phenyl]benzimidazole-5-carboxamide
SMILESCc1cc(C(=O)N2CCOCC2)ccc1NC(=O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C21H22N4O3/c1-14-11-16(21(27)25-7-9-28-10-8-25)3-5-17(14)23-20(26)15-4-6-19-18(12-15)22-13-24(19)2/h3-6,11-13H,7-10H2,1-2H3,(H,23,26)
InChIKeyBODLCIDDBCZYAU-UHFFFAOYSA-N
XLogP2.61
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide
CID 109052893
(1-methylbenzimidazol-5-yl)-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 125169053
[1-(1-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 118789278
N-(1-methylbenzimidazol-5-yl)morpholine-4-carboxamide
CID 110869159
1-methyl-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 154794308
1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805585
N-[4-(diethylamino)-2-methylphenyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045551
(4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 110692570
1-methyl-N-(4-pyrrolidin-1-ylphenyl)benzimidazole-5-carboxamide
CID 110692640
[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110801207
cyclopentyl-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110801662
2-ethyl-1-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 110801799

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-methyl-4-(morpholine-4-carbonyl)phenyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-methyl-4-(morpholine-4-carbonyl)phenyl]benzimidazole-5-carboxamide (CID 136519385) is 1-methyl-N-[2-methyl-4-(morpholine-4-carbonyl)phenyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-methyl-4-(morpholine-4-carbonyl)phenyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-methyl-4-(morpholine-4-carbonyl)phenyl]benzimidazole-5-carboxamide is Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)c1ccc2c(c1)ncn2C.
What is the InChIKey of 1-methyl-N-[2-methyl-4-(morpholine-4-carbonyl)phenyl]benzimidazole-5-carboxamide?
The InChIKey is BODLCIDDBCZYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14-11-16(21(27)25-7-9-28-10-8-25)3-5-17(14)23-20(26)15-4-6-19-18(12-15)22-13-24(19)2/h3-6,11-13H,7-10H2,1-2H3,(H,23,26).
What are the key properties of 1-methyl-N-[2-methyl-4-(morpholine-4-carbonyl)phenyl]benzimidazole-5-carboxamide?
1-methyl-N-[2-methyl-4-(morpholine-4-carbonyl)phenyl]benzimidazole-5-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-methyl-4-(morpholine-4-carbonyl)phenyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 136519385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).