2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-6-methoxy-1H-benzimidazole

C21H17ClN2OS — CID 7225600

IUPAC2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(S[C@H](c3ccccc3)c3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C21H17ClN2OS/c1-25-17-11-12-18-19(13-17)24-21(23-18)26-20(14-5-3-2-4-6-14)15-7-9-16(22)10-8-15/h2-13,20H,1H3,(H,23,24)/t20-/m1/s1
InChIKeyAKXKAPISXGXWDP-HXUWFJFHSA-N
MW380.90 g/mol
LogP6.11
Rot. Bonds5

About 2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-6-methoxy-1H-benzimidazole

2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-6-methoxy-1H-benzimidazole (PubChem CID 7225600) has the molecular formula C21H17ClN2OS and a molecular weight of 380.90 g/mol. Its IUPAC name is 2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-6-methoxy-1H-benzimidazole
PubChem CID7225600
Molecular FormulaC21H17ClN2OS
Molecular Weight380.90 g/mol
Exact Mass380.08
IUPAC Name2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(S[C@H](c3ccccc3)c3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C21H17ClN2OS/c1-25-17-11-12-18-19(13-17)24-21(23-18)26-20(14-5-3-2-4-6-14)15-7-9-16(22)10-8-15/h2-13,20H,1H3,(H,23,24)/t20-/m1/s1
InChIKeyAKXKAPISXGXWDP-HXUWFJFHSA-N
XLogP6.11
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.90
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-(1-phenylethylsulfanyl)-1H-benzimidazole
CID 112775399
(2R)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 40511290
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylpropyl)propanamide
CID 42985395
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-6-methoxy-1H-benzimidazole
CID 134065477
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-4-methoxy-N,N-dimethylaniline
CID 19866646
(2S)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 40829927
(2S)-2-(4-fluorophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 40808613
6-methoxy-2-propylsulfanyl-1H-benzimidazole
CID 2650025
(1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
CID 63812775
N'-hydroxy-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanimidamide
CID 76915209
6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752045
(2S)-N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 7152425

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-6-methoxy-1H-benzimidazole?
The IUPAC name of 2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-6-methoxy-1H-benzimidazole (CID 7225600) is 2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-6-methoxy-1H-benzimidazole.
What is the SMILES notation for 2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-6-methoxy-1H-benzimidazole?
The canonical SMILES for 2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-6-methoxy-1H-benzimidazole is COc1ccc2nc(S[C@H](c3ccccc3)c3ccc(Cl)cc3)[nH]c2c1.
What is the InChIKey of 2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-6-methoxy-1H-benzimidazole?
The InChIKey is AKXKAPISXGXWDP-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H17ClN2OS/c1-25-17-11-12-18-19(13-17)24-21(23-18)26-20(14-5-3-2-4-6-14)15-7-9-16(22)10-8-15/h2-13,20H,1H3,(H,23,24)/t20-/m1/s1.
What are the key properties of 2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-6-methoxy-1H-benzimidazole?
2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-6-methoxy-1H-benzimidazole has a molecular weight of 380.90 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-6-methoxy-1H-benzimidazole is sourced from PubChem (CID 7225600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).