2-[[1-(4-chlorophenyl)-5-(2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1H-benzimidazole

C24H19ClN4OS — CID 11282274

IUPAC2-[[1-(4-chlorophenyl)-5-(2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1H-benzimidazole
SMILESCOc1ccccc1-c1cnc(SCc2nc3ccccc3[nH]2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C24H19ClN4OS/c1-30-22-9-5-2-6-18(22)21-14-26-24(29(21)17-12-10-16(25)11-13-17)31-15-23-27-19-7-3-4-8-20(19)28-23/h2-14H,15H2,1H3,(H,27,28)
InChIKeyRGCAMKNRFNHBCR-UHFFFAOYSA-N
MW446.96 g/mol
LogP6.37
Rot. Bonds6

About 2-[[1-(4-chlorophenyl)-5-(2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1H-benzimidazole

2-[[1-(4-chlorophenyl)-5-(2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1H-benzimidazole (PubChem CID 11282274) has the molecular formula C24H19ClN4OS and a molecular weight of 446.96 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)-5-(2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)-5-(2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1H-benzimidazole
PubChem CID11282274
Molecular FormulaC24H19ClN4OS
Molecular Weight446.96 g/mol
Exact Mass446.10
IUPAC Name2-[[1-(4-chlorophenyl)-5-(2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1H-benzimidazole
SMILESCOc1ccccc1-c1cnc(SCc2nc3ccccc3[nH]2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C24H19ClN4OS/c1-30-22-9-5-2-6-18(22)21-14-26-24(29(21)17-12-10-16(25)11-13-17)31-15-23-27-19-7-3-4-8-20(19)28-23/h2-14H,15H2,1H3,(H,27,28)
InChIKeyRGCAMKNRFNHBCR-UHFFFAOYSA-N
XLogP6.37
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.96
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
CID 3991552
2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
CID 1342803
2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
CID 5039277
2-[1-(4-chlorophenyl)-5-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(cyclopropylmethyl)-N-methylethanamine
CID 11201181
2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
CID 3710071
2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
CID 1340228
methyl (E)-2-(1H-benzimidazol-2-yl)-4-[[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enoate
CID 135585123
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
CID 2041955
2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-phenylbenzimidazole;hydrochloride
CID 163329785
2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-phenylbenzimidazole
CID 614420
1-(4-chlorophenyl)-5-(5-fluoro-2-methoxyphenyl)-2-(4-pyrrolidin-1-ylbutylsulfanyl)imidazole
CID 24897728
2-[[6-bromo-1-(4-chlorophenyl)-2-methylindol-5-yl]oxymethyl]-1H-benzimidazole
CID 11754301

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)-5-(2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1H-benzimidazole?
The IUPAC name of 2-[[1-(4-chlorophenyl)-5-(2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1H-benzimidazole (CID 11282274) is 2-[[1-(4-chlorophenyl)-5-(2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)-5-(2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1H-benzimidazole?
The canonical SMILES for 2-[[1-(4-chlorophenyl)-5-(2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1H-benzimidazole is COc1ccccc1-c1cnc(SCc2nc3ccccc3[nH]2)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)-5-(2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1H-benzimidazole?
The InChIKey is RGCAMKNRFNHBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4OS/c1-30-22-9-5-2-6-18(22)21-14-26-24(29(21)17-12-10-16(25)11-13-17)31-15-23-27-19-7-3-4-8-20(19)28-23/h2-14H,15H2,1H3,(H,27,28).
What are the key properties of 2-[[1-(4-chlorophenyl)-5-(2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1H-benzimidazole?
2-[[1-(4-chlorophenyl)-5-(2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1H-benzimidazole has a molecular weight of 446.96 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)-5-(2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1H-benzimidazole is sourced from PubChem (CID 11282274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).