[3-[(dimethylamino)methyl]azetidin-1-yl]-[1-(3-methylphenyl)benzimidazol-5-yl]methanone

C21H24N4O — CID 136553899

IUPAC[3-[(dimethylamino)methyl]azetidin-1-yl]-[1-(3-methylphenyl)benzimidazol-5-yl]methanone
SMILESCc1cccc(-n2cnc3cc(C(=O)N4CC(CN(C)C)C4)ccc32)c1
InChIInChI=1S/C21H24N4O/c1-15-5-4-6-18(9-15)25-14-22-19-10-17(7-8-20(19)25)21(26)24-12-16(13-24)11-23(2)3/h4-10,14,16H,11-13H2,1-3H3
InChIKeyWJLFZZVXGACJGS-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.97
Rot. Bonds4

About [3-[(dimethylamino)methyl]azetidin-1-yl]-[1-(3-methylphenyl)benzimidazol-5-yl]methanone

[3-[(dimethylamino)methyl]azetidin-1-yl]-[1-(3-methylphenyl)benzimidazol-5-yl]methanone (PubChem CID 136553899) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]azetidin-1-yl]-[1-(3-methylphenyl)benzimidazol-5-yl]methanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]azetidin-1-yl]-[1-(3-methylphenyl)benzimidazol-5-yl]methanone
PubChem CID136553899
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name[3-[(dimethylamino)methyl]azetidin-1-yl]-[1-(3-methylphenyl)benzimidazol-5-yl]methanone
SMILESCc1cccc(-n2cnc3cc(C(=O)N4CC(CN(C)C)C4)ccc32)c1
InChIInChI=1S/C21H24N4O/c1-15-5-4-6-18(9-15)25-14-22-19-10-17(7-8-20(19)25)21(26)24-12-16(13-24)11-23(2)3/h4-10,14,16H,11-13H2,1-3H3
InChIKeyWJLFZZVXGACJGS-UHFFFAOYSA-N
XLogP2.97
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[(dimethylamino)methyl]azetidin-1-yl]-[1-(3-methylphenyl)benzimidazol-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone
CID 136553770
[1-(3-methylphenyl)benzimidazol-5-yl]-(5-oxa-2-azaspiro[3.4]octan-2-yl)methanone
CID 167750239
N-[(4-fluorophenyl)methyl]-2-[1-[1-(3-methylphenyl)benzimidazole-5-carbonyl]piperidin-3-yl]acetamide
CID 166375521
[1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
CID 156810853
1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide
CID 3279711
1-(3-methylphenyl)-N-octylbenzimidazole-5-carboxamide
CID 3614186
N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(3-methylphenyl)benzimidazole-5-carboxamide
CID 136553580
1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 86268678
3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one
CID 158587879
2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide
CID 168521648
N-[(2-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide
CID 144712535
[1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 71307830

Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]azetidin-1-yl]-[1-(3-methylphenyl)benzimidazol-5-yl]methanone?
The IUPAC name of [3-[(dimethylamino)methyl]azetidin-1-yl]-[1-(3-methylphenyl)benzimidazol-5-yl]methanone (CID 136553899) is [3-[(dimethylamino)methyl]azetidin-1-yl]-[1-(3-methylphenyl)benzimidazol-5-yl]methanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]azetidin-1-yl]-[1-(3-methylphenyl)benzimidazol-5-yl]methanone?
The canonical SMILES for [3-[(dimethylamino)methyl]azetidin-1-yl]-[1-(3-methylphenyl)benzimidazol-5-yl]methanone is Cc1cccc(-n2cnc3cc(C(=O)N4CC(CN(C)C)C4)ccc32)c1.
What is the InChIKey of [3-[(dimethylamino)methyl]azetidin-1-yl]-[1-(3-methylphenyl)benzimidazol-5-yl]methanone?
The InChIKey is WJLFZZVXGACJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-5-4-6-18(9-15)25-14-22-19-10-17(7-8-20(19)25)21(26)24-12-16(13-24)11-23(2)3/h4-10,14,16H,11-13H2,1-3H3.
What are the key properties of [3-[(dimethylamino)methyl]azetidin-1-yl]-[1-(3-methylphenyl)benzimidazol-5-yl]methanone?
[3-[(dimethylamino)methyl]azetidin-1-yl]-[1-(3-methylphenyl)benzimidazol-5-yl]methanone has a molecular weight of 348.45 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]azetidin-1-yl]-[1-(3-methylphenyl)benzimidazol-5-yl]methanone is sourced from PubChem (CID 136553899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).