1-(4-chlorophenyl)-2-(2-imino-3-methyl-4-prop-1-en-2-ylbenzimidazol-1-yl)ethanone

C19H18ClN3O — CID 58986024

IUPAC1-(4-chlorophenyl)-2-(2-imino-3-methyl-4-prop-1-en-2-ylbenzimidazol-1-yl)ethanone
SMILES[H]/N=c1\n(C)c2c(C(=C)C)cccc2n1CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O/c1-12(2)15-5-4-6-16-18(15)22(3)19(21)23(16)11-17(24)13-7-9-14(20)10-8-13/h4-10,21H,1,11H2,2-3H3/b21-19+
InChIKeyYUFWRXNYILQASB-XUTLUUPISA-N
MW339.83 g/mol
LogP4.03
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(2-imino-3-methyl-4-prop-1-en-2-ylbenzimidazol-1-yl)ethanone

1-(4-chlorophenyl)-2-(2-imino-3-methyl-4-prop-1-en-2-ylbenzimidazol-1-yl)ethanone (PubChem CID 58986024) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2-imino-3-methyl-4-prop-1-en-2-ylbenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2-imino-3-methyl-4-prop-1-en-2-ylbenzimidazol-1-yl)ethanone
PubChem CID58986024
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name1-(4-chlorophenyl)-2-(2-imino-3-methyl-4-prop-1-en-2-ylbenzimidazol-1-yl)ethanone
SMILES[H]/N=c1\n(C)c2c(C(=C)C)cccc2n1CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O/c1-12(2)15-5-4-6-16-18(15)22(3)19(21)23(16)11-17(24)13-7-9-14(20)10-8-13/h4-10,21H,1,11H2,2-3H3/b21-19+
InChIKeyYUFWRXNYILQASB-XUTLUUPISA-N
XLogP4.03
TPSA50.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-2-(2-imino-3,4-dimethylbenzimidazol-1-yl)ethanone
CID 25008271
1-(4-chlorophenyl)-2-[4-(hydroxymethyl)-2-imino-3-methylbenzimidazol-1-yl]ethanone
CID 58985948
2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethanone
CID 58985905
N-[2-[3-[2-(4-chlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]ethyl]-N-methylacetamide;hydrobromide
CID 157482522
2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-chlorophenyl)ethanone;hydrobromide
CID 44889187
2-(4-chloro-3-ethyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone
CID 143514549
1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone
CID 86579058
N-[3-[3-[2-(4-bromophenyl)-2-oxoethyl]-7-chloro-2-iminobenzimidazol-1-yl]propyl]-4-chloro-N-methylbenzamide
CID 58986112
1-(3,4-dichlorophenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide
CID 2881419
N-[3-[7-chloro-3-[2-(4-chlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]propyl]-N,1-dimethylpyrrole-2-carboxamide
CID 58986204
3-N-[3-[7-chloro-3-[2-(4-chlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]propyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 58986173
N-[3-[7-chloro-3-[2-(4-chlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]propyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 58986046

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2-imino-3-methyl-4-prop-1-en-2-ylbenzimidazol-1-yl)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(2-imino-3-methyl-4-prop-1-en-2-ylbenzimidazol-1-yl)ethanone (CID 58986024) is 1-(4-chlorophenyl)-2-(2-imino-3-methyl-4-prop-1-en-2-ylbenzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2-imino-3-methyl-4-prop-1-en-2-ylbenzimidazol-1-yl)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2-imino-3-methyl-4-prop-1-en-2-ylbenzimidazol-1-yl)ethanone is [H]/N=c1\n(C)c2c(C(=C)C)cccc2n1CC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2-imino-3-methyl-4-prop-1-en-2-ylbenzimidazol-1-yl)ethanone?
The InChIKey is YUFWRXNYILQASB-XUTLUUPISA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-12(2)15-5-4-6-16-18(15)22(3)19(21)23(16)11-17(24)13-7-9-14(20)10-8-13/h4-10,21H,1,11H2,2-3H3/b21-19+.
What are the key properties of 1-(4-chlorophenyl)-2-(2-imino-3-methyl-4-prop-1-en-2-ylbenzimidazol-1-yl)ethanone?
1-(4-chlorophenyl)-2-(2-imino-3-methyl-4-prop-1-en-2-ylbenzimidazol-1-yl)ethanone has a molecular weight of 339.83 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2-imino-3-methyl-4-prop-1-en-2-ylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 58986024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).