2-(4-chloro-3-ethyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone

C18H18ClN3O — CID 143514549

IUPAC2-(4-chloro-3-ethyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone
SMILES[H]/N=c1\n(CC(=O)c2ccc(C)cc2)c2cccc(Cl)c2n1CC
InChIInChI=1S/C18H18ClN3O/c1-3-21-17-14(19)5-4-6-15(17)22(18(21)20)11-16(23)13-9-7-12(2)8-10-13/h4-10,20H,3,11H2,1-2H3/b20-18-
InChIKeyVKOOMUDYDDGTRN-ZZEZOPTASA-N
MW327.81 g/mol
LogP3.79
Rot. Bonds4

About 2-(4-chloro-3-ethyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone

2-(4-chloro-3-ethyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone (PubChem CID 143514549) has the molecular formula C18H18ClN3O and a molecular weight of 327.81 g/mol. Its IUPAC name is 2-(4-chloro-3-ethyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-ethyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone
PubChem CID143514549
Molecular FormulaC18H18ClN3O
Molecular Weight327.81 g/mol
Exact Mass327.11
IUPAC Name2-(4-chloro-3-ethyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone
SMILES[H]/N=c1\n(CC(=O)c2ccc(C)cc2)c2cccc(Cl)c2n1CC
InChIInChI=1S/C18H18ClN3O/c1-3-21-17-14(19)5-4-6-15(17)22(18(21)20)11-16(23)13-9-7-12(2)8-10-13/h4-10,20H,3,11H2,1-2H3/b20-18-
InChIKeyVKOOMUDYDDGTRN-ZZEZOPTASA-N
XLogP3.79
TPSA50.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(4-chloro-3-ethyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone (CID 143514549) is 2-(4-chloro-3-ethyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-chloro-3-ethyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(4-chloro-3-ethyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone is [H]/N=c1\n(CC(=O)c2ccc(C)cc2)c2cccc(Cl)c2n1CC.
What is the InChIKey of 2-(4-chloro-3-ethyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone?
The InChIKey is VKOOMUDYDDGTRN-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-3-21-17-14(19)5-4-6-15(17)22(18(21)20)11-16(23)13-9-7-12(2)8-10-13/h4-10,20H,3,11H2,1-2H3/b20-18-.
What are the key properties of 2-(4-chloro-3-ethyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone?
2-(4-chloro-3-ethyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone has a molecular weight of 327.81 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 143514549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).