2-amino-4-(1-propan-2-ylbenzimidazol-2-yl)phenol

C16H17N3O — CID 136872074

IUPAC2-amino-4-(1-propan-2-ylbenzimidazol-2-yl)phenol
SMILESCC(C)n1c(-c2ccc(O)c(N)c2)nc2ccccc21
InChIInChI=1S/C16H17N3O/c1-10(2)19-14-6-4-3-5-13(14)18-16(19)11-7-8-15(20)12(17)9-11/h3-10,20H,17H2,1-2H3
InChIKeyJIOLYJWSXMVAPI-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.57
Rot. Bonds2

About 2-amino-4-(1-propan-2-ylbenzimidazol-2-yl)phenol

2-amino-4-(1-propan-2-ylbenzimidazol-2-yl)phenol (PubChem CID 136872074) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-amino-4-(1-propan-2-ylbenzimidazol-2-yl)phenol.

Molecular Properties

Compound Name2-amino-4-(1-propan-2-ylbenzimidazol-2-yl)phenol
PubChem CID136872074
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-amino-4-(1-propan-2-ylbenzimidazol-2-yl)phenol
SMILESCC(C)n1c(-c2ccc(O)c(N)c2)nc2ccccc21
InChIInChI=1S/C16H17N3O/c1-10(2)19-14-6-4-3-5-13(14)18-16(19)11-7-8-15(20)12(17)9-11/h3-10,20H,17H2,1-2H3
InChIKeyJIOLYJWSXMVAPI-UHFFFAOYSA-N
XLogP3.57
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136872091
2-amino-4-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136872096
3-(1-propan-2-ylbenzimidazol-2-yl)aniline
CID 4605444
2-amino-6-(1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136712542
2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol
CID 136872120
4-(1-propan-2-ylbenzimidazol-2-yl)benzoic acid
CID 4915596
2-amino-5-(1-methylbenzimidazol-2-yl)phenol
CID 60835038
2-[3-(chloromethyl)phenyl]-1-propan-2-ylbenzimidazole
CID 43325834
2-(1-propan-2-ylbenzimidazol-2-yl)quinolin-8-ol
CID 136859294
3-fluoro-4-(1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136751548
[5-(1-propan-2-ylbenzimidazol-2-yl)-3-pyridinyl]methanol
CID 163530387
2-amino-4-(6-fluoro-1-methylbenzimidazol-2-yl)phenol
CID 136872115

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1-propan-2-ylbenzimidazol-2-yl)phenol?
The IUPAC name of 2-amino-4-(1-propan-2-ylbenzimidazol-2-yl)phenol (CID 136872074) is 2-amino-4-(1-propan-2-ylbenzimidazol-2-yl)phenol.
What is the SMILES notation for 2-amino-4-(1-propan-2-ylbenzimidazol-2-yl)phenol?
The canonical SMILES for 2-amino-4-(1-propan-2-ylbenzimidazol-2-yl)phenol is CC(C)n1c(-c2ccc(O)c(N)c2)nc2ccccc21.
What is the InChIKey of 2-amino-4-(1-propan-2-ylbenzimidazol-2-yl)phenol?
The InChIKey is JIOLYJWSXMVAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10(2)19-14-6-4-3-5-13(14)18-16(19)11-7-8-15(20)12(17)9-11/h3-10,20H,17H2,1-2H3.
What are the key properties of 2-amino-4-(1-propan-2-ylbenzimidazol-2-yl)phenol?
2-amino-4-(1-propan-2-ylbenzimidazol-2-yl)phenol has a molecular weight of 267.33 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1-propan-2-ylbenzimidazol-2-yl)phenol is sourced from PubChem (CID 136872074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).