2-amino-2-(3-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanol

C13H19N3O — CID 83895795

IUPAC2-amino-2-(3-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanol
SMILESCC(C)c1nc2ccc(C(N)CO)cc2n1C
InChIInChI=1S/C13H19N3O/c1-8(2)13-15-11-5-4-9(10(14)7-17)6-12(11)16(13)3/h4-6,8,10,17H,7,14H2,1-3H3
InChIKeyMLCSRRPVEQOABT-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.69
Rot. Bonds3

About 2-amino-2-(3-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanol

2-amino-2-(3-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanol (PubChem CID 83895795) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-amino-2-(3-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanol
PubChem CID83895795
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-amino-2-(3-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanol
SMILESCC(C)c1nc2ccc(C(N)CO)cc2n1C
InChIInChI=1S/C13H19N3O/c1-8(2)13-15-11-5-4-9(10(14)7-17)6-12(11)16(13)3/h4-6,8,10,17H,7,14H2,1-3H3
InChIKeyMLCSRRPVEQOABT-UHFFFAOYSA-N
XLogP1.69
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanamine
CID 82493456
2-amino-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethanol
CID 84699598
2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride
CID 155487486
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
2-amino-2-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanol
CID 83889517
(6-chloro-1-methylbenzimidazol-2-yl)-cyclopropylmethanamine
CID 115472454
2-[2,6-di(propan-2-yl)benzimidazol-1-yl]propan-2-yloxy-methyl-oxophosphanium
CID 170001717
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid
CID 82142022
3-(6-fluoro-1-methylbenzimidazol-2-yl)butan-1-amine
CID 80539695
(1-methylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 2891070
1-[1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)cyclopropyl]ethanamine
CID 117397222
3-amino-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-ol
CID 107835425

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanol?
The IUPAC name of 2-amino-2-(3-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanol (CID 83895795) is 2-amino-2-(3-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanol.
What is the SMILES notation for 2-amino-2-(3-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanol?
The canonical SMILES for 2-amino-2-(3-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanol is CC(C)c1nc2ccc(C(N)CO)cc2n1C.
What is the InChIKey of 2-amino-2-(3-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanol?
The InChIKey is MLCSRRPVEQOABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8(2)13-15-11-5-4-9(10(14)7-17)6-12(11)16(13)3/h4-6,8,10,17H,7,14H2,1-3H3.
What are the key properties of 2-amino-2-(3-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanol?
2-amino-2-(3-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanol has a molecular weight of 233.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanol is sourced from PubChem (CID 83895795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).