2-[[(2-tert-butyl-3H-benzimidazol-5-yl)amino]methyl]-2-methylbutan-1-ol

C17H27N3O — CID 81399858

IUPAC2-[[(2-tert-butyl-3H-benzimidazol-5-yl)amino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNc1ccc2nc(C(C)(C)C)[nH]c2c1
InChIInChI=1S/C17H27N3O/c1-6-17(5,11-21)10-18-12-7-8-13-14(9-12)20-15(19-13)16(2,3)4/h7-9,18,21H,6,10-11H2,1-5H3,(H,19,20)
InChIKeyKPVOUQATYKAZAA-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.68
Rot. Bonds5

About 2-[[(2-tert-butyl-3H-benzimidazol-5-yl)amino]methyl]-2-methylbutan-1-ol

2-[[(2-tert-butyl-3H-benzimidazol-5-yl)amino]methyl]-2-methylbutan-1-ol (PubChem CID 81399858) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[[(2-tert-butyl-3H-benzimidazol-5-yl)amino]methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[(2-tert-butyl-3H-benzimidazol-5-yl)amino]methyl]-2-methylbutan-1-ol
PubChem CID81399858
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[[(2-tert-butyl-3H-benzimidazol-5-yl)amino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNc1ccc2nc(C(C)(C)C)[nH]c2c1
InChIInChI=1S/C17H27N3O/c1-6-17(5,11-21)10-18-12-7-8-13-14(9-12)20-15(19-13)16(2,3)4/h7-9,18,21H,6,10-11H2,1-5H3,(H,19,20)
InChIKeyKPVOUQATYKAZAA-UHFFFAOYSA-N
XLogP3.68
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(2-tert-butyl-3H-benzimidazol-5-yl)amino]methyl]-2-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine
CID 155399354
2-tert-butyl-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
CID 28714219
2-tert-butyl-N-(4-methylsulfanylbutyl)-3H-benzimidazol-5-amine
CID 103087304
N-(2-tert-butyl-3H-benzimidazol-5-yl)-3-chloropropanamide
CID 61251536
N-(2-tert-butyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
CID 53368058
3-(2-tert-butyl-3H-benzimidazol-5-yl)propan-1-ol
CID 117336779
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(methylamino)propanamide
CID 62639166
2-tert-butyl-6-methoxy-1H-benzimidazole
CID 58861925
2-amino-2-(6-tert-butyl-1H-benzimidazol-2-yl)propan-1-ol
CID 123261460
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(cyclopropylamino)acetamide
CID 61274236
2-amino-2-(2-tert-butyl-3H-benzimidazol-5-yl)ethanol
CID 84696917
cis-(1R,2S)-N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-methylcyclopropane-1-carboxamide
CID 39693129

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-tert-butyl-3H-benzimidazol-5-yl)amino]methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[[(2-tert-butyl-3H-benzimidazol-5-yl)amino]methyl]-2-methylbutan-1-ol (CID 81399858) is 2-[[(2-tert-butyl-3H-benzimidazol-5-yl)amino]methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[(2-tert-butyl-3H-benzimidazol-5-yl)amino]methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[(2-tert-butyl-3H-benzimidazol-5-yl)amino]methyl]-2-methylbutan-1-ol is CCC(C)(CO)CNc1ccc2nc(C(C)(C)C)[nH]c2c1.
What is the InChIKey of 2-[[(2-tert-butyl-3H-benzimidazol-5-yl)amino]methyl]-2-methylbutan-1-ol?
The InChIKey is KPVOUQATYKAZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-6-17(5,11-21)10-18-12-7-8-13-14(9-12)20-15(19-13)16(2,3)4/h7-9,18,21H,6,10-11H2,1-5H3,(H,19,20).
What are the key properties of 2-[[(2-tert-butyl-3H-benzimidazol-5-yl)amino]methyl]-2-methylbutan-1-ol?
2-[[(2-tert-butyl-3H-benzimidazol-5-yl)amino]methyl]-2-methylbutan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-tert-butyl-3H-benzimidazol-5-yl)amino]methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 81399858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).