1-(3-chloro-4-methoxyphenyl)-2-methyl-6-phenylbenzimidazole

C21H17ClN2O — CID 171806435

IUPAC1-(3-chloro-4-methoxyphenyl)-2-methyl-6-phenylbenzimidazole
SMILESCOc1ccc(-n2c(C)nc3ccc(-c4ccccc4)cc32)cc1Cl
InChIInChI=1S/C21H17ClN2O/c1-14-23-19-10-8-16(15-6-4-3-5-7-15)12-20(19)24(14)17-9-11-21(25-2)18(22)13-17/h3-13H,1-2H3
InChIKeySKDTXCHGHQVMFO-UHFFFAOYSA-N
MW348.83 g/mol
LogP5.66
Rot. Bonds3

About 1-(3-chloro-4-methoxyphenyl)-2-methyl-6-phenylbenzimidazole

1-(3-chloro-4-methoxyphenyl)-2-methyl-6-phenylbenzimidazole (PubChem CID 171806435) has the molecular formula C21H17ClN2O and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-methyl-6-phenylbenzimidazole.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-methyl-6-phenylbenzimidazole
PubChem CID171806435
Molecular FormulaC21H17ClN2O
Molecular Weight348.83 g/mol
Exact Mass348.10
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-methyl-6-phenylbenzimidazole
SMILESCOc1ccc(-n2c(C)nc3ccc(-c4ccccc4)cc32)cc1Cl
InChIInChI=1S/C21H17ClN2O/c1-14-23-19-10-8-16(15-6-4-3-5-7-15)12-20(19)24(14)17-9-11-21(25-2)18(22)13-17/h3-13H,1-2H3
InChIKeySKDTXCHGHQVMFO-UHFFFAOYSA-N
XLogP5.66
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.83
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3,5-bis(trifluoromethyl)phenyl]-1-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazole;ethane
CID 171806446
4-[3-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazol-5-yl]morpholine;ethane
CID 171806383
6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
CID 65346975
2-amino-3-(3-chloro-4-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714818
2-methyl-1-phenyl-6-[4-(10-phenyl-2,3-dihydroanthracen-9-yl)phenyl]benzimidazole
CID 134389370
4-(3-chloro-4-methoxyphenyl)-3-(2-phenoxyethylsulfanyl)-5-phenyl-1,2,4-triazole
CID 4690773
3-(3,4-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 82770705
4-[[4-(3-chloro-4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-1,3-thiazole
CID 112775523
6-methoxy-2-methyl-1-(4-methylphenyl)benzimidazole
CID 155921327
2-methyl-1-[4-[10-[3-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 59408445
1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 43660941
2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 87412320

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-methyl-6-phenylbenzimidazole?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-methyl-6-phenylbenzimidazole (CID 171806435) is 1-(3-chloro-4-methoxyphenyl)-2-methyl-6-phenylbenzimidazole.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-methyl-6-phenylbenzimidazole?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-methyl-6-phenylbenzimidazole is COc1ccc(-n2c(C)nc3ccc(-c4ccccc4)cc32)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-methyl-6-phenylbenzimidazole?
The InChIKey is SKDTXCHGHQVMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O/c1-14-23-19-10-8-16(15-6-4-3-5-7-15)12-20(19)24(14)17-9-11-21(25-2)18(22)13-17/h3-13H,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-methyl-6-phenylbenzimidazole?
1-(3-chloro-4-methoxyphenyl)-2-methyl-6-phenylbenzimidazole has a molecular weight of 348.83 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-2-methyl-6-phenylbenzimidazole is sourced from PubChem (CID 171806435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).