(5-chloro-6-methyl-1H-benzimidazol-2-yl)-phenylmethanol

C15H13ClN2O — CID 137483151

IUPAC(5-chloro-6-methyl-1H-benzimidazol-2-yl)-phenylmethanol
SMILESCc1cc2[nH]c(C(O)c3ccccc3)nc2cc1Cl
InChIInChI=1S/C15H13ClN2O/c1-9-7-12-13(8-11(9)16)18-15(17-12)14(19)10-5-3-2-4-6-10/h2-8,14,19H,1H3,(H,17,18)
InChIKeyCZPXEEGERITXDM-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.61
Rot. Bonds2

About (5-chloro-6-methyl-1H-benzimidazol-2-yl)-phenylmethanol

(5-chloro-6-methyl-1H-benzimidazol-2-yl)-phenylmethanol (PubChem CID 137483151) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is (5-chloro-6-methyl-1H-benzimidazol-2-yl)-phenylmethanol.

Molecular Properties

Compound Name(5-chloro-6-methyl-1H-benzimidazol-2-yl)-phenylmethanol
PubChem CID137483151
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name(5-chloro-6-methyl-1H-benzimidazol-2-yl)-phenylmethanol
SMILESCc1cc2[nH]c(C(O)c3ccccc3)nc2cc1Cl
InChIInChI=1S/C15H13ClN2O/c1-9-7-12-13(8-11(9)16)18-15(17-12)14(19)10-5-3-2-4-6-10/h2-8,14,19H,1H3,(H,17,18)
InChIKeyCZPXEEGERITXDM-UHFFFAOYSA-N
XLogP3.61
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 94673305
1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 82184476
(6-bromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol
CID 104574600
1H-benzimidazol-2-yl-(4-chlorophenyl)methanol
CID 21125
(5,6-dibromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol
CID 139310075
(R)-(6-bromo-1H-benzimidazol-2-yl)-(3-chlorophenyl)methanol
CID 125480955
(R)-(6-bromo-1H-benzimidazol-2-yl)-(4-chlorophenyl)methanol
CID 125481020
(2S,3S)-3-(1H-benzimidazol-2-yl)-1,1,1-trichloro-3-phenylpropan-2-ol
CID 1278594
2-benzhydryl-5,6-dimethoxy-1H-benzimidazole
CID 82144272
(6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 89433863
(E)-but-2-enedioic acid;2-[2-[hydroxy(phenyl)methyl]-3H-benzimidazol-5-yl]acetic acid
CID 6446554
2-tert-butyl-5-chloro-6-methyl-1H-benzimidazole
CID 58897196

Frequently Asked Questions

What is the IUPAC name of (5-chloro-6-methyl-1H-benzimidazol-2-yl)-phenylmethanol?
The IUPAC name of (5-chloro-6-methyl-1H-benzimidazol-2-yl)-phenylmethanol (CID 137483151) is (5-chloro-6-methyl-1H-benzimidazol-2-yl)-phenylmethanol.
What is the SMILES notation for (5-chloro-6-methyl-1H-benzimidazol-2-yl)-phenylmethanol?
The canonical SMILES for (5-chloro-6-methyl-1H-benzimidazol-2-yl)-phenylmethanol is Cc1cc2[nH]c(C(O)c3ccccc3)nc2cc1Cl.
What is the InChIKey of (5-chloro-6-methyl-1H-benzimidazol-2-yl)-phenylmethanol?
The InChIKey is CZPXEEGERITXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-9-7-12-13(8-11(9)16)18-15(17-12)14(19)10-5-3-2-4-6-10/h2-8,14,19H,1H3,(H,17,18).
What are the key properties of (5-chloro-6-methyl-1H-benzimidazol-2-yl)-phenylmethanol?
(5-chloro-6-methyl-1H-benzimidazol-2-yl)-phenylmethanol has a molecular weight of 272.74 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6-methyl-1H-benzimidazol-2-yl)-phenylmethanol is sourced from PubChem (CID 137483151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).