(E)-1-(6-methylbenzimidazol-1-yl)-3-phenylprop-2-en-1-one

C17H14N2O — CID 122387047

IUPAC(E)-1-(6-methylbenzimidazol-1-yl)-3-phenylprop-2-en-1-one
SMILESCc1ccc2ncn(C(=O)/C=C/c3ccccc3)c2c1
InChIInChI=1S/C17H14N2O/c1-13-7-9-15-16(11-13)19(12-18-15)17(20)10-8-14-5-3-2-4-6-14/h2-12H,1H3/b10-8+
InChIKeyMAUVYSUJUZGALR-CSKARUKUSA-N
MW262.31 g/mol
LogP3.70
Rot. Bonds2

About (E)-1-(6-methylbenzimidazol-1-yl)-3-phenylprop-2-en-1-one

(E)-1-(6-methylbenzimidazol-1-yl)-3-phenylprop-2-en-1-one (PubChem CID 122387047) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is (E)-1-(6-methylbenzimidazol-1-yl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(6-methylbenzimidazol-1-yl)-3-phenylprop-2-en-1-one
PubChem CID122387047
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name(E)-1-(6-methylbenzimidazol-1-yl)-3-phenylprop-2-en-1-one
SMILESCc1ccc2ncn(C(=O)/C=C/c3ccccc3)c2c1
InChIInChI=1S/C17H14N2O/c1-13-7-9-15-16(11-13)19(12-18-15)17(20)10-8-14-5-3-2-4-6-14/h2-12H,1H3/b10-8+
InChIKeyMAUVYSUJUZGALR-CSKARUKUSA-N
XLogP3.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(5-methylindol-1-yl)-3-phenylprop-2-en-1-one
CID 56677168
N,6-dimethylbenzimidazole-1-carboxamide
CID 141344220
tert-butyl 6-methylbenzimidazole-1-carboxylate
CID 59283343
(E)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 7292534
(E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one;(E)-4-phenylbut-3-en-2-one
CID 161243705
(1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one
CID 6175900
(Z)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one
CID 92908631
benzimidazol-1-yl-(4-methylphenyl)methanone
CID 710618
carbon dioxide;6-methyl-1-phenylbenzimidazole;(3-phenylbenzimidazol-5-yl)methanol
CID 158180135
(E)-1-[5-(4-methylphenyl)-3-propoxy-1,2,4-triazol-1-yl]-3-phenylprop-2-en-1-one
CID 42729455
1-(benzimidazol-1-yl)-2,3-diphenylprop-2-en-1-one
CID 4667462
(6-methylbenzimidazol-1-yl)thallium
CID 142243531

Frequently Asked Questions

What is the IUPAC name of (E)-1-(6-methylbenzimidazol-1-yl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(6-methylbenzimidazol-1-yl)-3-phenylprop-2-en-1-one (CID 122387047) is (E)-1-(6-methylbenzimidazol-1-yl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(6-methylbenzimidazol-1-yl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(6-methylbenzimidazol-1-yl)-3-phenylprop-2-en-1-one is Cc1ccc2ncn(C(=O)/C=C/c3ccccc3)c2c1.
What is the InChIKey of (E)-1-(6-methylbenzimidazol-1-yl)-3-phenylprop-2-en-1-one?
The InChIKey is MAUVYSUJUZGALR-CSKARUKUSA-N. The full InChI is InChI=1S/C17H14N2O/c1-13-7-9-15-16(11-13)19(12-18-15)17(20)10-8-14-5-3-2-4-6-14/h2-12H,1H3/b10-8+.
What are the key properties of (E)-1-(6-methylbenzimidazol-1-yl)-3-phenylprop-2-en-1-one?
(E)-1-(6-methylbenzimidazol-1-yl)-3-phenylprop-2-en-1-one has a molecular weight of 262.31 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(6-methylbenzimidazol-1-yl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 122387047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).