[1-[(4-chlorophenyl)methyl]indol-3-yl]-(1H-imidazol-2-yl)methanone

C19H14ClN3O — CID 20730276

IUPAC[1-[(4-chlorophenyl)methyl]indol-3-yl]-(1H-imidazol-2-yl)methanone
SMILESO=C(c1ncc[nH]1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C19H14ClN3O/c20-14-7-5-13(6-8-14)11-23-12-16(15-3-1-2-4-17(15)23)18(24)19-21-9-10-22-19/h1-10,12H,11H2,(H,21,22)
InChIKeyMIADBIXLSPRVBB-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.30
Rot. Bonds4

About [1-[(4-chlorophenyl)methyl]indol-3-yl]-(1H-imidazol-2-yl)methanone

[1-[(4-chlorophenyl)methyl]indol-3-yl]-(1H-imidazol-2-yl)methanone (PubChem CID 20730276) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]indol-3-yl]-(1H-imidazol-2-yl)methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]indol-3-yl]-(1H-imidazol-2-yl)methanone
PubChem CID20730276
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name[1-[(4-chlorophenyl)methyl]indol-3-yl]-(1H-imidazol-2-yl)methanone
SMILESO=C(c1ncc[nH]1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C19H14ClN3O/c20-14-7-5-13(6-8-14)11-23-12-16(15-3-1-2-4-17(15)23)18(24)19-21-9-10-22-19/h1-10,12H,11H2,(H,21,22)
InChIKeyMIADBIXLSPRVBB-UHFFFAOYSA-N
XLogP4.30
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]indol-3-yl]-(1H-imidazol-2-yl)methanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]indol-3-yl]-(1H-imidazol-2-yl)methanone (CID 20730276) is [1-[(4-chlorophenyl)methyl]indol-3-yl]-(1H-imidazol-2-yl)methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]indol-3-yl]-(1H-imidazol-2-yl)methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]indol-3-yl]-(1H-imidazol-2-yl)methanone is O=C(c1ncc[nH]1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]indol-3-yl]-(1H-imidazol-2-yl)methanone?
The InChIKey is MIADBIXLSPRVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c20-14-7-5-13(6-8-14)11-23-12-16(15-3-1-2-4-17(15)23)18(24)19-21-9-10-22-19/h1-10,12H,11H2,(H,21,22).
What are the key properties of [1-[(4-chlorophenyl)methyl]indol-3-yl]-(1H-imidazol-2-yl)methanone?
[1-[(4-chlorophenyl)methyl]indol-3-yl]-(1H-imidazol-2-yl)methanone has a molecular weight of 335.79 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]indol-3-yl]-(1H-imidazol-2-yl)methanone is sourced from PubChem (CID 20730276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).