(R)-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-phenylmethanol

C21H17BrN2O — CID 7305937

IUPAC(R)-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-phenylmethanol
SMILESO[C@H](c1ccccc1)c1nc2ccccc2n1Cc1ccccc1Br
InChIInChI=1S/C21H17BrN2O/c22-17-11-5-4-10-16(17)14-24-19-13-7-6-12-18(19)23-21(24)20(25)15-8-2-1-3-9-15/h1-13,20,25H,14H2/t20-/m1/s1
InChIKeyPVBRHYMEKRKUEI-HXUWFJFHSA-N
MW393.28 g/mol
LogP4.93
Rot. Bonds4

About (R)-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-phenylmethanol

(R)-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-phenylmethanol (PubChem CID 7305937) has the molecular formula C21H17BrN2O and a molecular weight of 393.28 g/mol. Its IUPAC name is (R)-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-phenylmethanol
PubChem CID7305937
Molecular FormulaC21H17BrN2O
Molecular Weight393.28 g/mol
Exact Mass392.05
IUPAC Name(R)-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-phenylmethanol
SMILESO[C@H](c1ccccc1)c1nc2ccccc2n1Cc1ccccc1Br
InChIInChI=1S/C21H17BrN2O/c22-17-11-5-4-10-16(17)14-24-19-13-7-6-12-18(19)23-21(24)20(25)15-8-2-1-3-9-15/h1-13,20,25H,14H2/t20-/m1/s1
InChIKeyPVBRHYMEKRKUEI-HXUWFJFHSA-N
XLogP4.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(1-benzylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 7007591
(S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol
CID 972889
phenyl-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methanol
CID 2959653
(S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 6998450
(S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 867678
(R)-[1-(2-methoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 40699008
(S)-(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methanol
CID 7316264
(S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol
CID 762121
(1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 755584
2-[2-[hydroxy(phenyl)methyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 2985948
[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol
CID 16995122
[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-(4-methoxyphenyl)methanol
CID 2850295

Frequently Asked Questions

What is the IUPAC name of (R)-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-phenylmethanol?
The IUPAC name of (R)-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-phenylmethanol (CID 7305937) is (R)-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-phenylmethanol.
What is the SMILES notation for (R)-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-phenylmethanol?
The canonical SMILES for (R)-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-phenylmethanol is O[C@H](c1ccccc1)c1nc2ccccc2n1Cc1ccccc1Br.
What is the InChIKey of (R)-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-phenylmethanol?
The InChIKey is PVBRHYMEKRKUEI-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H17BrN2O/c22-17-11-5-4-10-16(17)14-24-19-13-7-6-12-18(19)23-21(24)20(25)15-8-2-1-3-9-15/h1-13,20,25H,14H2/t20-/m1/s1.
What are the key properties of (R)-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-phenylmethanol?
(R)-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-phenylmethanol has a molecular weight of 393.28 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-phenylmethanol is sourced from PubChem (CID 7305937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).