2-(3-chloro-4-phenylmethoxyphenyl)-6-methoxy-1H-benzimidazole

C21H17ClN2O2 — CID 110534777

IUPAC2-(3-chloro-4-phenylmethoxyphenyl)-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(-c3ccc(OCc4ccccc4)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C21H17ClN2O2/c1-25-16-8-9-18-19(12-16)24-21(23-18)15-7-10-20(17(22)11-15)26-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,23,24)
InChIKeyVXMKCIHAASAOKT-UHFFFAOYSA-N
MW364.83 g/mol
LogP5.47
Rot. Bonds5

About 2-(3-chloro-4-phenylmethoxyphenyl)-6-methoxy-1H-benzimidazole

2-(3-chloro-4-phenylmethoxyphenyl)-6-methoxy-1H-benzimidazole (PubChem CID 110534777) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is 2-(3-chloro-4-phenylmethoxyphenyl)-6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-chloro-4-phenylmethoxyphenyl)-6-methoxy-1H-benzimidazole
PubChem CID110534777
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name2-(3-chloro-4-phenylmethoxyphenyl)-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(-c3ccc(OCc4ccccc4)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C21H17ClN2O2/c1-25-16-8-9-18-19(12-16)24-21(23-18)15-7-10-20(17(22)11-15)26-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,23,24)
InChIKeyVXMKCIHAASAOKT-UHFFFAOYSA-N
XLogP5.47
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.83
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110535216
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole
CID 168554144
2-(4-phenylmethoxyphenyl)-1H-benzimidazole
CID 159450012
2-[3-chloro-4-(3,4-dimethoxyphenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 68841961
2-(3-chloro-4-pentoxyphenyl)-1H-benzimidazole
CID 168553650
2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole
CID 110535118
3-(6-phenylmethoxy-1H-benzimidazol-2-yl)benzamide
CID 4915123
2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole
CID 168555287
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5,6-dimethyl-1H-benzimidazole
CID 110534214
2-(3-butoxyphenyl)-6-methoxy-1H-benzimidazole
CID 110538781
3-(6-methoxy-1H-benzimidazol-2-yl)aniline
CID 754001

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-phenylmethoxyphenyl)-6-methoxy-1H-benzimidazole?
The IUPAC name of 2-(3-chloro-4-phenylmethoxyphenyl)-6-methoxy-1H-benzimidazole (CID 110534777) is 2-(3-chloro-4-phenylmethoxyphenyl)-6-methoxy-1H-benzimidazole.
What is the SMILES notation for 2-(3-chloro-4-phenylmethoxyphenyl)-6-methoxy-1H-benzimidazole?
The canonical SMILES for 2-(3-chloro-4-phenylmethoxyphenyl)-6-methoxy-1H-benzimidazole is COc1ccc2nc(-c3ccc(OCc4ccccc4)c(Cl)c3)[nH]c2c1.
What is the InChIKey of 2-(3-chloro-4-phenylmethoxyphenyl)-6-methoxy-1H-benzimidazole?
The InChIKey is VXMKCIHAASAOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c1-25-16-8-9-18-19(12-16)24-21(23-18)15-7-10-20(17(22)11-15)26-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,23,24).
What are the key properties of 2-(3-chloro-4-phenylmethoxyphenyl)-6-methoxy-1H-benzimidazole?
2-(3-chloro-4-phenylmethoxyphenyl)-6-methoxy-1H-benzimidazole has a molecular weight of 364.83 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-phenylmethoxyphenyl)-6-methoxy-1H-benzimidazole is sourced from PubChem (CID 110534777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).