4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-2-amine

C16H20N4O — CID 118864481

IUPAC4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-2-amine
SMILESCC(C)CC(C)(N)c1nc2ccc(-c3cnco3)cc2[nH]1
InChIInChI=1S/C16H20N4O/c1-10(2)7-16(3,17)15-19-12-5-4-11(6-13(12)20-15)14-8-18-9-21-14/h4-6,8-10H,7,17H2,1-3H3,(H,19,20)
InChIKeyHKDJDEPGACCDAT-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.44
Rot. Bonds4

About 4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-2-amine

4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-2-amine (PubChem CID 118864481) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-2-amine
PubChem CID118864481
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-2-amine
SMILESCC(C)CC(C)(N)c1nc2ccc(-c3cnco3)cc2[nH]1
InChIInChI=1S/C16H20N4O/c1-10(2)7-16(3,17)15-19-12-5-4-11(6-13(12)20-15)14-8-18-9-21-14/h4-6,8-10H,7,17H2,1-3H3,(H,19,20)
InChIKeyHKDJDEPGACCDAT-UHFFFAOYSA-N
XLogP3.44
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-4-methylpentan-2-amine
CID 118864273
(1R)-N,3-dimethyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine
CID 118880591
2-amino-2-(6-tert-butyl-1H-benzimidazol-2-yl)propan-1-ol
CID 123261460
1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
CID 121256032
5-[4-chloro-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole
CID 121255861
5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-1,3-oxazole
CID 138664462
5-[4-(azetidin-1-yl)-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole
CID 121256019
2-hydroxy-N-[(1S)-1-[6-[4-[2-[(1S)-1-[(2-hydroxy-2,4-dimethylpentanoyl)amino]-2,2-dimethylpropyl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]-2,2-dimethylpropyl]-2,4-dimethylpentanamide
CID 126561253
2-(1-hydroxy-2-methylpropan-2-yl)-3H-benzimidazole-5-carboxylic acid
CID 62735128
tert-butyl N-[2-[[2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-yl]amino]ethyl]carbamate
CID 121255921
6-bromo-2-(2-methylsulfonylpropan-2-yl)-1H-benzimidazole
CID 64724549
6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]propan-2-yl]-1H-benzimidazole
CID 141084129

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-2-amine?
The IUPAC name of 4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-2-amine (CID 118864481) is 4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-2-amine.
What is the SMILES notation for 4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-2-amine?
The canonical SMILES for 4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-2-amine is CC(C)CC(C)(N)c1nc2ccc(-c3cnco3)cc2[nH]1.
What is the InChIKey of 4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-2-amine?
The InChIKey is HKDJDEPGACCDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10(2)7-16(3,17)15-19-12-5-4-11(6-13(12)20-15)14-8-18-9-21-14/h4-6,8-10H,7,17H2,1-3H3,(H,19,20).
What are the key properties of 4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-2-amine?
4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-2-amine has a molecular weight of 284.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-2-amine is sourced from PubChem (CID 118864481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).