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

C16H18N4O — CID 106376366

IUPAC2-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-5-amine
SMILESCc1nc(Cn2c(C3CC3)nc3cc(N)ccc32)oc1C
InChIInChI=1S/C16H18N4O/c1-9-10(2)21-15(18-9)8-20-14-6-5-12(17)7-13(14)19-16(20)11-3-4-11/h5-7,11H,3-4,8,17H2,1-2H3
InChIKeyMLNCFICFNQYIRJ-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.15
Rot. Bonds3

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

2-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-5-amine (PubChem CID 106376366) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-5-amine
PubChem CID106376366
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-5-amine
SMILESCc1nc(Cn2c(C3CC3)nc3cc(N)ccc32)oc1C
InChIInChI=1S/C16H18N4O/c1-9-10(2)21-15(18-9)8-20-14-6-5-12(17)7-13(14)19-16(20)11-3-4-11/h5-7,11H,3-4,8,17H2,1-2H3
InChIKeyMLNCFICFNQYIRJ-UHFFFAOYSA-N
XLogP3.15
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-5-amine?
The IUPAC name of 2-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-5-amine (CID 106376366) is 2-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-5-amine?
The canonical SMILES for 2-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-5-amine is Cc1nc(Cn2c(C3CC3)nc3cc(N)ccc32)oc1C.
What is the InChIKey of 2-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-5-amine?
The InChIKey is MLNCFICFNQYIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-9-10(2)21-15(18-9)8-20-14-6-5-12(17)7-13(14)19-16(20)11-3-4-11/h5-7,11H,3-4,8,17H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-5-amine?
2-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-5-amine has a molecular weight of 282.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 106376366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).