(S)-3H-benzo[e]benzimidazol-2-yl(phenyl)methanol

C18H14N2O — CID 125482110

IUPAC(S)-3H-benzo[e]benzimidazol-2-yl(phenyl)methanol
SMILESO[C@@H](c1ccccc1)c1nc2c(ccc3ccccc32)[nH]1
InChIInChI=1S/C18H14N2O/c21-17(13-7-2-1-3-8-13)18-19-15-11-10-12-6-4-5-9-14(12)16(15)20-18/h1-11,17,21H,(H,19,20)/t17-/m0/s1
InChIKeyYDETXDXTDSTORT-KRWDZBQOSA-N
MW274.32 g/mol
LogP3.80
Rot. Bonds2

About (S)-3H-benzo[e]benzimidazol-2-yl(phenyl)methanol

(S)-3H-benzo[e]benzimidazol-2-yl(phenyl)methanol (PubChem CID 125482110) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is (S)-3H-benzo[e]benzimidazol-2-yl(phenyl)methanol.

Molecular Properties

Compound Name(S)-3H-benzo[e]benzimidazol-2-yl(phenyl)methanol
PubChem CID125482110
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name(S)-3H-benzo[e]benzimidazol-2-yl(phenyl)methanol
SMILESO[C@@H](c1ccccc1)c1nc2c(ccc3ccccc32)[nH]1
InChIInChI=1S/C18H14N2O/c21-17(13-7-2-1-3-8-13)18-19-15-11-10-12-6-4-5-9-14(12)16(15)20-18/h1-11,17,21H,(H,19,20)/t17-/m0/s1
InChIKeyYDETXDXTDSTORT-KRWDZBQOSA-N
XLogP3.80
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)-1H-benzimidazol-2-yl]-phenylmethanol
CID 104721149
phenyl-(4-phenylmethoxy-1H-benzimidazol-2-yl)methanol
CID 13162241
(4-chlorophenyl)-(3H-imidazo[4,5-c]quinolin-2-yl)methanol
CID 19804708
(5,6-dibromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol
CID 139310075
(6-bromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol
CID 104574600
(5-chloro-6-methyl-1H-benzimidazol-2-yl)-phenylmethanol
CID 137483151
2-[hydroxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821328
1H-benzimidazol-2-yl-(4-chlorophenyl)methanol
CID 21125
(R)-phenyl(1H-1,2,4-triazol-5-yl)methanol
CID 40540193
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
(E)-but-2-enedioic acid;2-[2-[hydroxy(phenyl)methyl]-3H-benzimidazol-5-yl]acetic acid
CID 6446554
2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 9184

Frequently Asked Questions

What is the IUPAC name of (S)-3H-benzo[e]benzimidazol-2-yl(phenyl)methanol?
The IUPAC name of (S)-3H-benzo[e]benzimidazol-2-yl(phenyl)methanol (CID 125482110) is (S)-3H-benzo[e]benzimidazol-2-yl(phenyl)methanol.
What is the SMILES notation for (S)-3H-benzo[e]benzimidazol-2-yl(phenyl)methanol?
The canonical SMILES for (S)-3H-benzo[e]benzimidazol-2-yl(phenyl)methanol is O[C@@H](c1ccccc1)c1nc2c(ccc3ccccc32)[nH]1.
What is the InChIKey of (S)-3H-benzo[e]benzimidazol-2-yl(phenyl)methanol?
The InChIKey is YDETXDXTDSTORT-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H14N2O/c21-17(13-7-2-1-3-8-13)18-19-15-11-10-12-6-4-5-9-14(12)16(15)20-18/h1-11,17,21H,(H,19,20)/t17-/m0/s1.
What are the key properties of (S)-3H-benzo[e]benzimidazol-2-yl(phenyl)methanol?
(S)-3H-benzo[e]benzimidazol-2-yl(phenyl)methanol has a molecular weight of 274.32 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-3H-benzo[e]benzimidazol-2-yl(phenyl)methanol is sourced from PubChem (CID 125482110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).