2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide

C21H25FN4O — CID 131952394

IUPAC2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide
SMILESCCCn1c(C)nc2cc(NC(=O)CN(C)Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C21H25FN4O/c1-4-11-26-15(2)23-19-12-18(9-10-20(19)26)24-21(27)14-25(3)13-16-5-7-17(22)8-6-16/h5-10,12H,4,11,13-14H2,1-3H3,(H,24,27)
InChIKeyDCEBWXRUMABGTI-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.96
Rot. Bonds7

About 2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide

2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide (PubChem CID 131952394) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide
PubChem CID131952394
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide
SMILESCCCn1c(C)nc2cc(NC(=O)CN(C)Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C21H25FN4O/c1-4-11-26-15(2)23-19-12-18(9-10-20(19)26)24-21(27)14-25(3)13-16-5-7-17(22)8-6-16/h5-10,12H,4,11,13-14H2,1-3H3,(H,24,27)
InChIKeyDCEBWXRUMABGTI-UHFFFAOYSA-N
XLogP3.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide
CID 131951300
N-(2-methyl-1-propylbenzimidazol-5-yl)-3-pyridin-4-ylpropanamide
CID 131927243
N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658802
N-(2-methyl-1-propylbenzimidazol-5-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 131942241
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
N-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658798
2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253204
dimethyl (E)-2-[(2-methyl-1-propylbenzimidazol-5-yl)amino]but-2-enedioate
CID 168570679
2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9251999
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
2-[(4-fluorophenyl)methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 9251924
N-(3-fluoro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197824

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide (CID 131952394) is 2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide is CCCn1c(C)nc2cc(NC(=O)CN(C)Cc3ccc(F)cc3)ccc21.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide?
The InChIKey is DCEBWXRUMABGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-4-11-26-15(2)23-19-12-18(9-10-20(19)26)24-21(27)14-25(3)13-16-5-7-17(22)8-6-16/h5-10,12H,4,11,13-14H2,1-3H3,(H,24,27).
What are the key properties of 2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide?
2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide has a molecular weight of 368.46 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide is sourced from PubChem (CID 131952394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).