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

C16H20N4O — CID 118880515

IUPAC4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-1-amine
SMILESCC(C)CC(CN)c1nc2ccc(-c3cnco3)cc2[nH]1
InChIInChI=1S/C16H20N4O/c1-10(2)5-12(7-17)16-19-13-4-3-11(6-14(13)20-16)15-8-18-9-21-15/h3-4,6,8-10,12H,5,7,17H2,1-2H3,(H,19,20)
InChIKeyRVIHDHAVNCMMOA-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.31
Rot. Bonds5

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

4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-1-amine (PubChem CID 118880515) 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-1-amine.

Molecular Properties

Compound Name4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-1-amine
PubChem CID118880515
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-1-amine
SMILESCC(C)CC(CN)c1nc2ccc(-c3cnco3)cc2[nH]1
InChIInChI=1S/C16H20N4O/c1-10(2)5-12(7-17)16-19-13-4-3-11(6-14(13)20-16)15-8-18-9-21-15/h3-4,6,8-10,12H,5,7,17H2,1-2H3,(H,19,20)
InChIKeyRVIHDHAVNCMMOA-UHFFFAOYSA-N
XLogP3.31
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]-N-[4-[5-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-benzimidazol-5-yl]oxazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 46893268
6-(Oxazol-5-yl)-3-(4-piperidin-1-ylmethyl-phenyl)-9H-dipyrido[2,3-b;4',3'-d]pyrrole
CID 58266579
(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]-N-[3-[5-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-benzimidazol-5-yl]oxazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 58384795
(1S)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
CID 162625321
2-(4-(Oxazol-5-yl)phenyl)-1H-benzo[d]imidazole-4-carboxamide
CID 44541922
N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 24791737
2-(2-Methyl-1H-benzoimidazol-5-yl)-benzooxazole
CID 831984
6-[5-(4-Chlorophenyl)-oxazol-2-yl]-2-(2,6-dichlorophenyl)-1H-benzimidazole
CID 25235860
N-(1H-imidazol-5-ylmethyl)-2-(1,3-oxazol-5-yl)aniline
CID 44343275
(2R)-2-(dimethylamino)-1-[(2S)-2-[5-[2-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-benzimidazol-5-yl]oxazol-5-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-phenyl-ethanone
CID 59237076
2-(1-amino-3-methylbutyl)-N-methyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine
CID 121255746
3-Methyl-1-[6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine
CID 121255889

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-1-amine?
The IUPAC name of 4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-1-amine (CID 118880515) is 4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-1-amine.
What is the SMILES notation for 4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-1-amine?
The canonical SMILES for 4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-1-amine is CC(C)CC(CN)c1nc2ccc(-c3cnco3)cc2[nH]1.
What is the InChIKey of 4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-1-amine?
The InChIKey is RVIHDHAVNCMMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10(2)5-12(7-17)16-19-13-4-3-11(6-14(13)20-16)15-8-18-9-21-15/h3-4,6,8-10,12H,5,7,17H2,1-2H3,(H,19,20).
What are the key properties of 4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-1-amine?
4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-1-amine has a molecular weight of 284.36 g/mol, XLogP of 3.31, 5 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-1-amine is sourced from PubChem (CID 118880515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).