1-[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-2-methylpropan-1-one

C22H25ClN2O — CID 18315589

IUPAC1-[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-2-methylpropan-1-one
SMILESCCCCc1nc2ccc(C(=O)C(C)C)cc2n1Cc1ccccc1Cl
InChIInChI=1S/C22H25ClN2O/c1-4-5-10-21-24-19-12-11-16(22(26)15(2)3)13-20(19)25(21)14-17-8-6-7-9-18(17)23/h6-9,11-13,15H,4-5,10,14H2,1-3H3
InChIKeyPHWRFJOIBKSBPA-UHFFFAOYSA-N
MW368.91 g/mol
LogP5.92
Rot. Bonds7

About 1-[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-2-methylpropan-1-one

1-[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-2-methylpropan-1-one (PubChem CID 18315589) has the molecular formula C22H25ClN2O and a molecular weight of 368.91 g/mol. Its IUPAC name is 1-[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-2-methylpropan-1-one
PubChem CID18315589
Molecular FormulaC22H25ClN2O
Molecular Weight368.91 g/mol
Exact Mass368.17
IUPAC Name1-[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-2-methylpropan-1-one
SMILESCCCCc1nc2ccc(C(=O)C(C)C)cc2n1Cc1ccccc1Cl
InChIInChI=1S/C22H25ClN2O/c1-4-5-10-21-24-19-12-11-16(22(26)15(2)3)13-20(19)25(21)14-17-8-6-7-9-18(17)23/h6-9,11-13,15H,4-5,10,14H2,1-3H3
InChIKeyPHWRFJOIBKSBPA-UHFFFAOYSA-N
XLogP5.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.91
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxamide;hydrochloride
CID 139615644
2-butyl-3-[(2-chlorophenyl)methyl]-N,N-dimethylbenzimidazole-5-carboxamide
CID 18315518
[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]methanol
CID 19094237
[3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]-piperidin-1-ylmethanone
CID 18315440
N-[3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]acetamide
CID 22620334
ethyl 2-benzyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylate
CID 18680791
3-[(2-chlorophenyl)methyl]-2-propyl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 54266313
2-butyl-6-chloro-3-[(2-chlorophenyl)methyl]benzimidazole-4-carboxylic acid
CID 19094249
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide
CID 4754809
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-chlorophenyl)methyl]-2-propylbenzimidazole-5-carboxamide
CID 18681073
4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid
CID 14987298
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 16984277

Frequently Asked Questions

What is the IUPAC name of 1-[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-2-methylpropan-1-one (CID 18315589) is 1-[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-2-methylpropan-1-one is CCCCc1nc2ccc(C(=O)C(C)C)cc2n1Cc1ccccc1Cl.
What is the InChIKey of 1-[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-2-methylpropan-1-one?
The InChIKey is PHWRFJOIBKSBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O/c1-4-5-10-21-24-19-12-11-16(22(26)15(2)3)13-20(19)25(21)14-17-8-6-7-9-18(17)23/h6-9,11-13,15H,4-5,10,14H2,1-3H3.
What are the key properties of 1-[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-2-methylpropan-1-one?
1-[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-2-methylpropan-1-one has a molecular weight of 368.91 g/mol, XLogP of 5.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-2-methylpropan-1-one is sourced from PubChem (CID 18315589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).