2-[3-(2-aminoethyl)phenyl]-3H-benzimidazol-5-ol

C15H15N3O — CID 81431977

IUPAC2-[3-(2-aminoethyl)phenyl]-3H-benzimidazol-5-ol
SMILESNCCc1cccc(-c2nc3ccc(O)cc3[nH]2)c1
InChIInChI=1S/C15H15N3O/c16-7-6-10-2-1-3-11(8-10)15-17-13-5-4-12(19)9-14(13)18-15/h1-5,8-9,19H,6-7,16H2,(H,17,18)
InChIKeyKNVZQXRWSJJCME-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.44
Rot. Bonds3

About 2-[3-(2-aminoethyl)phenyl]-3H-benzimidazol-5-ol

2-[3-(2-aminoethyl)phenyl]-3H-benzimidazol-5-ol (PubChem CID 81431977) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)phenyl]-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)phenyl]-3H-benzimidazol-5-ol
PubChem CID81431977
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-[3-(2-aminoethyl)phenyl]-3H-benzimidazol-5-ol
SMILESNCCc1cccc(-c2nc3ccc(O)cc3[nH]2)c1
InChIInChI=1S/C15H15N3O/c16-7-6-10-2-1-3-11(8-10)15-17-13-5-4-12(19)9-14(13)18-15/h1-5,8-9,19H,6-7,16H2,(H,17,18)
InChIKeyKNVZQXRWSJJCME-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine
CID 63793363
2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine
CID 82292187
2-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanamine
CID 82304182
2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanamine
CID 63794425
2-(3-amino-4-fluorophenyl)-3H-benzimidazol-5-ol
CID 81432663
4-(6-amino-1H-benzimidazol-2-yl)phenol
CID 763218
2-(2-fluoro-6-hydroxyphenyl)-3H-benzimidazol-5-ol
CID 136959757
2-naphthalen-1-yl-3H-benzimidazol-5-ol
CID 81432399
[2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004545
2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)ethanamine
CID 82292186
4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride
CID 135987130
4-(6-hydroxy-1H-benzimidazol-2-yl)benzonitrile
CID 81431797

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)phenyl]-3H-benzimidazol-5-ol?
The IUPAC name of 2-[3-(2-aminoethyl)phenyl]-3H-benzimidazol-5-ol (CID 81431977) is 2-[3-(2-aminoethyl)phenyl]-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-[3-(2-aminoethyl)phenyl]-3H-benzimidazol-5-ol?
The canonical SMILES for 2-[3-(2-aminoethyl)phenyl]-3H-benzimidazol-5-ol is NCCc1cccc(-c2nc3ccc(O)cc3[nH]2)c1.
What is the InChIKey of 2-[3-(2-aminoethyl)phenyl]-3H-benzimidazol-5-ol?
The InChIKey is KNVZQXRWSJJCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-7-6-10-2-1-3-11(8-10)15-17-13-5-4-12(19)9-14(13)18-15/h1-5,8-9,19H,6-7,16H2,(H,17,18).
What are the key properties of 2-[3-(2-aminoethyl)phenyl]-3H-benzimidazol-5-ol?
2-[3-(2-aminoethyl)phenyl]-3H-benzimidazol-5-ol has a molecular weight of 253.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)phenyl]-3H-benzimidazol-5-ol is sourced from PubChem (CID 81431977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).