2-[1H-benzimidazol-2-yl(propan-2-yl)amino]ethanol

C12H17N3O — CID 60724199

IUPAC2-[1H-benzimidazol-2-yl(propan-2-yl)amino]ethanol
SMILESCC(C)N(CCO)c1nc2ccccc2[nH]1
InChIInChI=1S/C12H17N3O/c1-9(2)15(7-8-16)12-13-10-5-3-4-6-11(10)14-12/h3-6,9,16H,7-8H2,1-2H3,(H,13,14)
InChIKeySDJMEYRMKKBMCN-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.77
Rot. Bonds4

About 2-[1H-benzimidazol-2-yl(propan-2-yl)amino]ethanol

2-[1H-benzimidazol-2-yl(propan-2-yl)amino]ethanol (PubChem CID 60724199) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-[1H-benzimidazol-2-yl(propan-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[1H-benzimidazol-2-yl(propan-2-yl)amino]ethanol
PubChem CID60724199
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-[1H-benzimidazol-2-yl(propan-2-yl)amino]ethanol
SMILESCC(C)N(CCO)c1nc2ccccc2[nH]1
InChIInChI=1S/C12H17N3O/c1-9(2)15(7-8-16)12-13-10-5-3-4-6-11(10)14-12/h3-6,9,16H,7-8H2,1-2H3,(H,13,14)
InChIKeySDJMEYRMKKBMCN-UHFFFAOYSA-N
XLogP1.77
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine
CID 90287555
5-[1H-benzimidazol-2-yl(methyl)amino]pentan-1-ol
CID 107203344
N,N-dimethyl-1H-benzimidazol-2-amine
CID 17846
N-(2-chloropropyl)-N-methyl-1H-benzimidazol-2-amine
CID 63392162
2-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-ethylamino]ethanol
CID 82336490
N-butyl-N-methyl-1H-benzimidazol-2-amine
CID 71723451
2-[1H-benzimidazol-2-ylmethyl(propyl)amino]ethanol
CID 60691476
3-[1,3-benzothiazol-2-yl(propan-2-yl)amino]propan-1-ol
CID 61146234
N-(2-methoxyethyl)-N-methyl-1H-benzimidazol-2-amine
CID 133409792
2-[4-(1H-benzimidazol-2-yl)-N-methylanilino]ethanol
CID 139235304
2-[propan-2-yl(quinolin-4-yl)amino]ethanol
CID 61339739
N-cyclobutyl-N-methyl-1H-benzimidazol-2-amine
CID 115143834

Frequently Asked Questions

What is the IUPAC name of 2-[1H-benzimidazol-2-yl(propan-2-yl)amino]ethanol?
The IUPAC name of 2-[1H-benzimidazol-2-yl(propan-2-yl)amino]ethanol (CID 60724199) is 2-[1H-benzimidazol-2-yl(propan-2-yl)amino]ethanol.
What is the SMILES notation for 2-[1H-benzimidazol-2-yl(propan-2-yl)amino]ethanol?
The canonical SMILES for 2-[1H-benzimidazol-2-yl(propan-2-yl)amino]ethanol is CC(C)N(CCO)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[1H-benzimidazol-2-yl(propan-2-yl)amino]ethanol?
The InChIKey is SDJMEYRMKKBMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(2)15(7-8-16)12-13-10-5-3-4-6-11(10)14-12/h3-6,9,16H,7-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[1H-benzimidazol-2-yl(propan-2-yl)amino]ethanol?
2-[1H-benzimidazol-2-yl(propan-2-yl)amino]ethanol has a molecular weight of 219.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-benzimidazol-2-yl(propan-2-yl)amino]ethanol is sourced from PubChem (CID 60724199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).