2-[(3-ethylphenyl)methyl]-1-phenylbenzimidazole

C22H20N2 — CID 147266428

IUPAC2-[(3-ethylphenyl)methyl]-1-phenylbenzimidazole
SMILESCCc1cccc(Cc2nc3ccccc3n2-c2ccccc2)c1
InChIInChI=1S/C22H20N2/c1-2-17-9-8-10-18(15-17)16-22-23-20-13-6-7-14-21(20)24(22)19-11-4-3-5-12-19/h3-15H,2,16H2,1H3
InChIKeyCPOQMXPIUDBFEE-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.18
Rot. Bonds4

About 2-[(3-ethylphenyl)methyl]-1-phenylbenzimidazole

2-[(3-ethylphenyl)methyl]-1-phenylbenzimidazole (PubChem CID 147266428) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[(3-ethylphenyl)methyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[(3-ethylphenyl)methyl]-1-phenylbenzimidazole
PubChem CID147266428
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name2-[(3-ethylphenyl)methyl]-1-phenylbenzimidazole
SMILESCCc1cccc(Cc2nc3ccccc3n2-c2ccccc2)c1
InChIInChI=1S/C22H20N2/c1-2-17-9-8-10-18(15-17)16-22-23-20-13-6-7-14-21(20)24(22)19-11-4-3-5-12-19/h3-15H,2,16H2,1H3
InChIKeyCPOQMXPIUDBFEE-UHFFFAOYSA-N
XLogP5.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(chloromethyl)-1-phenylbenzimidazole;hydrochloride
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CID 155179234
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
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2-(1-phenylbenzimidazol-2-yl)acetic acid
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2-ethyl-6-phenylbenzimidazolo[1,2-a]benzimidazole
CID 123894505
2-ethyl-1-[4-[10-phenyl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166043045
1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382224
22-[4-(2-ethylbenzimidazol-1-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475087
N-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]aniline
CID 106505787
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CID 80502841
3-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid
CID 42643866

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylphenyl)methyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[(3-ethylphenyl)methyl]-1-phenylbenzimidazole (CID 147266428) is 2-[(3-ethylphenyl)methyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[(3-ethylphenyl)methyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[(3-ethylphenyl)methyl]-1-phenylbenzimidazole is CCc1cccc(Cc2nc3ccccc3n2-c2ccccc2)c1.
What is the InChIKey of 2-[(3-ethylphenyl)methyl]-1-phenylbenzimidazole?
The InChIKey is CPOQMXPIUDBFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-2-17-9-8-10-18(15-17)16-22-23-20-13-6-7-14-21(20)24(22)19-11-4-3-5-12-19/h3-15H,2,16H2,1H3.
What are the key properties of 2-[(3-ethylphenyl)methyl]-1-phenylbenzimidazole?
2-[(3-ethylphenyl)methyl]-1-phenylbenzimidazole has a molecular weight of 312.42 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylphenyl)methyl]-1-phenylbenzimidazole is sourced from PubChem (CID 147266428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).