3-(benzimidazol-1-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-1-amine

C16H20N4O — CID 28781418

IUPAC3-(benzimidazol-1-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-1-amine
SMILESCc1noc(C)c1CNCCCn1cnc2ccccc21
InChIInChI=1S/C16H20N4O/c1-12-14(13(2)21-19-12)10-17-8-5-9-20-11-18-15-6-3-4-7-16(15)20/h3-4,6-7,11,17H,5,8-10H2,1-2H3
InChIKeyAXKVHAZQNGGDLB-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.82
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-1-amine

3-(benzimidazol-1-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-1-amine (PubChem CID 28781418) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-1-amine
PubChem CID28781418
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-(benzimidazol-1-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-1-amine
SMILESCc1noc(C)c1CNCCCn1cnc2ccccc21
InChIInChI=1S/C16H20N4O/c1-12-14(13(2)21-19-12)10-17-8-5-9-20-11-18-15-6-3-4-7-16(15)20/h3-4,6-7,11,17H,5,8-10H2,1-2H3
InChIKeyAXKVHAZQNGGDLB-UHFFFAOYSA-N
XLogP2.82
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(benzimidazol-1-yl)propyl]-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazine-1-carboxamide
CID 86879784
3-(benzimidazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 55109662
3-(benzimidazol-1-yl)-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
CID 62756291
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 60721061
3-(benzimidazol-1-yl)-N-[(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 115379810
3-(benzimidazol-1-yl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 104878480
5-[[3-(benzimidazol-1-yl)propylamino]methyl]thiophene-3-carbonitrile
CID 79538680
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 28781392
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methyl-N'-phenylpropane-1,3-diamine
CID 28780886
1-(6-chlorohexyl)benzimidazole
CID 62228178
bis(1-butylbenzimidazole);ethane
CID 142164287
N-[3-(benzimidazol-1-yl)propyl]-1-bromomethanesulfonamide
CID 83093191

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-1-amine (CID 28781418) is 3-(benzimidazol-1-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-1-amine is Cc1noc(C)c1CNCCCn1cnc2ccccc21.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-1-amine?
The InChIKey is AXKVHAZQNGGDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-14(13(2)21-19-12)10-17-8-5-9-20-11-18-15-6-3-4-7-16(15)20/h3-4,6-7,11,17H,5,8-10H2,1-2H3.
What are the key properties of 3-(benzimidazol-1-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-1-amine?
3-(benzimidazol-1-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-1-amine has a molecular weight of 284.36 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 28781418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).