2-[(4-methylbenzimidazol-1-yl)methyl]-3-phenylchromen-4-one

C24H18N2O2 — CID 53234840

IUPAC2-[(4-methylbenzimidazol-1-yl)methyl]-3-phenylchromen-4-one
SMILESCc1cccc2c1ncn2Cc1oc2ccccc2c(=O)c1-c1ccccc1
InChIInChI=1S/C24H18N2O2/c1-16-8-7-12-19-23(16)25-15-26(19)14-21-22(17-9-3-2-4-10-17)24(27)18-11-5-6-13-20(18)28-21/h2-13,15H,14H2,1H3
InChIKeyNXTSIMDKVIAFFO-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.17
Rot. Bonds3

About 2-[(4-methylbenzimidazol-1-yl)methyl]-3-phenylchromen-4-one

2-[(4-methylbenzimidazol-1-yl)methyl]-3-phenylchromen-4-one (PubChem CID 53234840) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[(4-methylbenzimidazol-1-yl)methyl]-3-phenylchromen-4-one.

Molecular Properties

Compound Name2-[(4-methylbenzimidazol-1-yl)methyl]-3-phenylchromen-4-one
PubChem CID53234840
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC Name2-[(4-methylbenzimidazol-1-yl)methyl]-3-phenylchromen-4-one
SMILESCc1cccc2c1ncn2Cc1oc2ccccc2c(=O)c1-c1ccccc1
InChIInChI=1S/C24H18N2O2/c1-16-8-7-12-19-23(16)25-15-26(19)14-21-22(17-9-3-2-4-10-17)24(27)18-11-5-6-13-20(18)28-21/h2-13,15H,14H2,1H3
InChIKeyNXTSIMDKVIAFFO-UHFFFAOYSA-N
XLogP5.17
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-{4-[2-(1H-benzimidazol-1-yl)ethoxy]phenyl}-1-propanone hydrochloride
CID 2965954
1-{4-[2-(1H-benzimidazol-1-yl)ethoxy]phenyl}ethanone
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CID 44132012
sodium (11E)-11-[2-(benzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate
CID 44355333
2-[1-(6-Aminopurin-9-yl)ethyl]-3-(3-fluorophenyl)chromen-4-one
CID 53234922
2-[3-[3,3-Bis(1-benzofuran-2-yl)prop-2-enyl]-2-methylbenzimidazol-1-ium-1-yl]-1-phenylethanone bromide
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2-[(1-Methylbenzimidazol-2-yl)methoxy]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylbenzimidazol-1-yl)methyl]-3-phenylchromen-4-one?
The IUPAC name of 2-[(4-methylbenzimidazol-1-yl)methyl]-3-phenylchromen-4-one (CID 53234840) is 2-[(4-methylbenzimidazol-1-yl)methyl]-3-phenylchromen-4-one.
What is the SMILES notation for 2-[(4-methylbenzimidazol-1-yl)methyl]-3-phenylchromen-4-one?
The canonical SMILES for 2-[(4-methylbenzimidazol-1-yl)methyl]-3-phenylchromen-4-one is Cc1cccc2c1ncn2Cc1oc2ccccc2c(=O)c1-c1ccccc1.
What is the InChIKey of 2-[(4-methylbenzimidazol-1-yl)methyl]-3-phenylchromen-4-one?
The InChIKey is NXTSIMDKVIAFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2/c1-16-8-7-12-19-23(16)25-15-26(19)14-21-22(17-9-3-2-4-10-17)24(27)18-11-5-6-13-20(18)28-21/h2-13,15H,14H2,1H3.
What are the key properties of 2-[(4-methylbenzimidazol-1-yl)methyl]-3-phenylchromen-4-one?
2-[(4-methylbenzimidazol-1-yl)methyl]-3-phenylchromen-4-one has a molecular weight of 366.42 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylbenzimidazol-1-yl)methyl]-3-phenylchromen-4-one is sourced from PubChem (CID 53234840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).