2-(3-amino-4-methoxyphenyl)-3H-benzimidazol-5-ol

C14H13N3O2 — CID 81432559

IUPAC2-(3-amino-4-methoxyphenyl)-3H-benzimidazol-5-ol
SMILESCOc1ccc(-c2nc3ccc(O)cc3[nH]2)cc1N
InChIInChI=1S/C14H13N3O2/c1-19-13-5-2-8(6-10(13)15)14-16-11-4-3-9(18)7-12(11)17-14/h2-7,18H,15H2,1H3,(H,16,17)
InChIKeyQOWLHSPTWQIKFF-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.53
Rot. Bonds2

About 2-(3-amino-4-methoxyphenyl)-3H-benzimidazol-5-ol

2-(3-amino-4-methoxyphenyl)-3H-benzimidazol-5-ol (PubChem CID 81432559) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(3-amino-4-methoxyphenyl)-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-(3-amino-4-methoxyphenyl)-3H-benzimidazol-5-ol
PubChem CID81432559
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-(3-amino-4-methoxyphenyl)-3H-benzimidazol-5-ol
SMILESCOc1ccc(-c2nc3ccc(O)cc3[nH]2)cc1N
InChIInChI=1S/C14H13N3O2/c1-19-13-5-2-8(6-10(13)15)14-16-11-4-3-9(18)7-12(11)17-14/h2-7,18H,15H2,1H3,(H,16,17)
InChIKeyQOWLHSPTWQIKFF-UHFFFAOYSA-N
XLogP2.53
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol
CID 81432333
2-(3-amino-4-fluorophenyl)-3H-benzimidazol-5-ol
CID 81432663
1-[2-(4-amino-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one
CID 58408680
2-methoxy-5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
CID 81137784
4-(6-amino-1H-benzimidazol-2-yl)phenol
CID 763218
5-(1H-benzimidazol-2-yl)-2-propan-2-yloxyaniline
CID 82144258
2-(4-amino-3-methoxyphenyl)-3H-benzimidazole-5-carbaldehyde
CID 84756504
2-methoxy-4-(6-phenyl-1H-benzimidazol-2-yl)phenol
CID 140987224
4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride
CID 135987130
2-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-carbohydrazide
CID 91902915
4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine
CID 59071986
4-(6-hydroxy-1H-benzimidazol-2-yl)benzonitrile
CID 81431797

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methoxyphenyl)-3H-benzimidazol-5-ol?
The IUPAC name of 2-(3-amino-4-methoxyphenyl)-3H-benzimidazol-5-ol (CID 81432559) is 2-(3-amino-4-methoxyphenyl)-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-(3-amino-4-methoxyphenyl)-3H-benzimidazol-5-ol?
The canonical SMILES for 2-(3-amino-4-methoxyphenyl)-3H-benzimidazol-5-ol is COc1ccc(-c2nc3ccc(O)cc3[nH]2)cc1N.
What is the InChIKey of 2-(3-amino-4-methoxyphenyl)-3H-benzimidazol-5-ol?
The InChIKey is QOWLHSPTWQIKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-19-13-5-2-8(6-10(13)15)14-16-11-4-3-9(18)7-12(11)17-14/h2-7,18H,15H2,1H3,(H,16,17).
What are the key properties of 2-(3-amino-4-methoxyphenyl)-3H-benzimidazol-5-ol?
2-(3-amino-4-methoxyphenyl)-3H-benzimidazol-5-ol has a molecular weight of 255.28 g/mol, XLogP of 2.53, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methoxyphenyl)-3H-benzimidazol-5-ol is sourced from PubChem (CID 81432559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).