2-amino-1-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)ethanol

C13H19N3O — CID 83895796

IUPAC2-amino-1-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)ethanol
SMILESCc1nc2ccc(C(O)CN)cc2n1C(C)C
InChIInChI=1S/C13H19N3O/c1-8(2)16-9(3)15-11-5-4-10(6-12(11)16)13(17)7-14/h4-6,8,13,17H,7,14H2,1-3H3
InChIKeyQDKWXFWVEARNMT-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.92
Rot. Bonds3

About 2-amino-1-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)ethanol

2-amino-1-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)ethanol (PubChem CID 83895796) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-amino-1-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)ethanol
PubChem CID83895796
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-amino-1-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)ethanol
SMILESCc1nc2ccc(C(O)CN)cc2n1C(C)C
InChIInChI=1S/C13H19N3O/c1-8(2)16-9(3)15-11-5-4-10(6-12(11)16)13(17)7-14/h4-6,8,13,17H,7,14H2,1-3H3
InChIKeyQDKWXFWVEARNMT-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethane-1,2-diamine
CID 82500695
5-(2-amino-1-hydroxyethyl)-3-propan-2-yl-1H-benzimidazol-2-one
CID 83896659
1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propan-2-ol
CID 117336784
3-butan-2-yl-2-methylbenzimidazol-5-amine
CID 133190269
3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butanal
CID 117362928
4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butan-1-amine
CID 96675145
2-methyl-1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
CID 137333076
6-fluoro-2-methyl-1-propan-2-ylbenzimidazol-5-amine
CID 83833773
3,5-dichloro-4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)oxyaniline
CID 167581422
2,4-dimethyl-1,6-di(propan-2-yl)benzimidazole
CID 138741311
2-(aminomethyl)-3-propan-2-ylbenzimidazol-5-amine
CID 84777993
2-amino-1-[4-(1-hydroxyethyl)phenyl]ethanol
CID 117278888

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)ethanol?
The IUPAC name of 2-amino-1-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)ethanol (CID 83895796) is 2-amino-1-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)ethanol.
What is the SMILES notation for 2-amino-1-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)ethanol?
The canonical SMILES for 2-amino-1-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)ethanol is Cc1nc2ccc(C(O)CN)cc2n1C(C)C.
What is the InChIKey of 2-amino-1-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)ethanol?
The InChIKey is QDKWXFWVEARNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8(2)16-9(3)15-11-5-4-10(6-12(11)16)13(17)7-14/h4-6,8,13,17H,7,14H2,1-3H3.
What are the key properties of 2-amino-1-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)ethanol?
2-amino-1-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)ethanol has a molecular weight of 233.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)ethanol is sourced from PubChem (CID 83895796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).