[4-(aminomethyl)-1H-benzimidazol-2-yl]-phenylmethanol

C15H15N3O — CID 104721149

IUPAC[4-(aminomethyl)-1H-benzimidazol-2-yl]-phenylmethanol
SMILESNCc1cccc2[nH]c(C(O)c3ccccc3)nc12
InChIInChI=1S/C15H15N3O/c16-9-11-7-4-8-12-13(11)18-15(17-12)14(19)10-5-2-1-3-6-10/h1-8,14,19H,9,16H2,(H,17,18)
InChIKeyOMSSQURKHJXSGY-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.10
Rot. Bonds3

About [4-(aminomethyl)-1H-benzimidazol-2-yl]-phenylmethanol

[4-(aminomethyl)-1H-benzimidazol-2-yl]-phenylmethanol (PubChem CID 104721149) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is [4-(aminomethyl)-1H-benzimidazol-2-yl]-phenylmethanol.

Molecular Properties

Compound Name[4-(aminomethyl)-1H-benzimidazol-2-yl]-phenylmethanol
PubChem CID104721149
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name[4-(aminomethyl)-1H-benzimidazol-2-yl]-phenylmethanol
SMILESNCc1cccc2[nH]c(C(O)c3ccccc3)nc12
InChIInChI=1S/C15H15N3O/c16-9-11-7-4-8-12-13(11)18-15(17-12)14(19)10-5-2-1-3-6-10/h1-8,14,19H,9,16H2,(H,17,18)
InChIKeyOMSSQURKHJXSGY-UHFFFAOYSA-N
XLogP2.10
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[methoxy(phenyl)methyl]-1H-benzimidazol-4-yl]methanamine
CID 104721312
(S)-3H-benzo[e]benzimidazol-2-yl(phenyl)methanol
CID 125482110
phenyl-(4-phenylmethoxy-1H-benzimidazol-2-yl)methanol
CID 13162241
[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 103311170
[2-(1-pyrazol-1-ylethyl)-1H-benzimidazol-4-yl]methanamine
CID 114040741
[2-(propoxymethyl)-1H-benzimidazol-4-yl]methanamine
CID 107941841
(5,6-dibromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol
CID 139310075
(6-bromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol
CID 104574600
[2-(2,2,2-trifluoroethyl)-1H-benzimidazol-4-yl]methanamine
CID 104721226
[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721233
[2-(methylsulfanylmethyl)-1H-benzimidazol-4-yl]methanamine
CID 104721264
(2-isoquinolin-1-yl-1H-benzimidazol-4-yl)methanamine
CID 104721160

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-1H-benzimidazol-2-yl]-phenylmethanol?
The IUPAC name of [4-(aminomethyl)-1H-benzimidazol-2-yl]-phenylmethanol (CID 104721149) is [4-(aminomethyl)-1H-benzimidazol-2-yl]-phenylmethanol.
What is the SMILES notation for [4-(aminomethyl)-1H-benzimidazol-2-yl]-phenylmethanol?
The canonical SMILES for [4-(aminomethyl)-1H-benzimidazol-2-yl]-phenylmethanol is NCc1cccc2[nH]c(C(O)c3ccccc3)nc12.
What is the InChIKey of [4-(aminomethyl)-1H-benzimidazol-2-yl]-phenylmethanol?
The InChIKey is OMSSQURKHJXSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-9-11-7-4-8-12-13(11)18-15(17-12)14(19)10-5-2-1-3-6-10/h1-8,14,19H,9,16H2,(H,17,18).
What are the key properties of [4-(aminomethyl)-1H-benzimidazol-2-yl]-phenylmethanol?
[4-(aminomethyl)-1H-benzimidazol-2-yl]-phenylmethanol has a molecular weight of 253.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-1H-benzimidazol-2-yl]-phenylmethanol is sourced from PubChem (CID 104721149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).