3-cyclopropyl-2-(2-methoxypropan-2-yl)benzimidazol-5-amine

C14H19N3O — CID 114202909

IUPAC3-cyclopropyl-2-(2-methoxypropan-2-yl)benzimidazol-5-amine
SMILESCOC(C)(C)c1nc2ccc(N)cc2n1C1CC1
InChIInChI=1S/C14H19N3O/c1-14(2,18-3)13-16-11-7-4-9(15)8-12(11)17(13)10-5-6-10/h4,7-8,10H,5-6,15H2,1-3H3
InChIKeyDLCIESXUPDDKNT-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.83
Rot. Bonds3

About 3-cyclopropyl-2-(2-methoxypropan-2-yl)benzimidazol-5-amine

3-cyclopropyl-2-(2-methoxypropan-2-yl)benzimidazol-5-amine (PubChem CID 114202909) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-cyclopropyl-2-(2-methoxypropan-2-yl)benzimidazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-2-(2-methoxypropan-2-yl)benzimidazol-5-amine
PubChem CID114202909
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-cyclopropyl-2-(2-methoxypropan-2-yl)benzimidazol-5-amine
SMILESCOC(C)(C)c1nc2ccc(N)cc2n1C1CC1
InChIInChI=1S/C14H19N3O/c1-14(2,18-3)13-16-11-7-4-9(15)8-12(11)17(13)10-5-6-10/h4,7-8,10H,5-6,15H2,1-3H3
InChIKeyDLCIESXUPDDKNT-UHFFFAOYSA-N
XLogP2.83
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-(2-methoxypropan-2-yl)benzimidazol-5-amine?
The IUPAC name of 3-cyclopropyl-2-(2-methoxypropan-2-yl)benzimidazol-5-amine (CID 114202909) is 3-cyclopropyl-2-(2-methoxypropan-2-yl)benzimidazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-2-(2-methoxypropan-2-yl)benzimidazol-5-amine?
The canonical SMILES for 3-cyclopropyl-2-(2-methoxypropan-2-yl)benzimidazol-5-amine is COC(C)(C)c1nc2ccc(N)cc2n1C1CC1.
What is the InChIKey of 3-cyclopropyl-2-(2-methoxypropan-2-yl)benzimidazol-5-amine?
The InChIKey is DLCIESXUPDDKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2,18-3)13-16-11-7-4-9(15)8-12(11)17(13)10-5-6-10/h4,7-8,10H,5-6,15H2,1-3H3.
What are the key properties of 3-cyclopropyl-2-(2-methoxypropan-2-yl)benzimidazol-5-amine?
3-cyclopropyl-2-(2-methoxypropan-2-yl)benzimidazol-5-amine has a molecular weight of 245.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-(2-methoxypropan-2-yl)benzimidazol-5-amine is sourced from PubChem (CID 114202909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).