1-cyclohexyl-2-propylbenzimidazol-5-amine

C16H23N3 — CID 62507665

IUPAC1-cyclohexyl-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1C1CCCCC1
InChIInChI=1S/C16H23N3/c1-2-6-16-18-14-11-12(17)9-10-15(14)19(16)13-7-4-3-5-8-13/h9-11,13H,2-8,17H2,1H3
InChIKeyXPQRNVFBEVPETI-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.08
Rot. Bonds3

About 1-cyclohexyl-2-propylbenzimidazol-5-amine

1-cyclohexyl-2-propylbenzimidazol-5-amine (PubChem CID 62507665) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-cyclohexyl-2-propylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-cyclohexyl-2-propylbenzimidazol-5-amine
PubChem CID62507665
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-cyclohexyl-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1C1CCCCC1
InChIInChI=1S/C16H23N3/c1-2-6-16-18-14-11-12(17)9-10-15(14)19(16)13-7-4-3-5-8-13/h9-11,13H,2-8,17H2,1H3
InChIKeyXPQRNVFBEVPETI-UHFFFAOYSA-N
XLogP4.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-propylbenzimidazol-5-amine?
The IUPAC name of 1-cyclohexyl-2-propylbenzimidazol-5-amine (CID 62507665) is 1-cyclohexyl-2-propylbenzimidazol-5-amine.
What is the SMILES notation for 1-cyclohexyl-2-propylbenzimidazol-5-amine?
The canonical SMILES for 1-cyclohexyl-2-propylbenzimidazol-5-amine is CCCc1nc2cc(N)ccc2n1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-propylbenzimidazol-5-amine?
The InChIKey is XPQRNVFBEVPETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-6-16-18-14-11-12(17)9-10-15(14)19(16)13-7-4-3-5-8-13/h9-11,13H,2-8,17H2,1H3.
What are the key properties of 1-cyclohexyl-2-propylbenzimidazol-5-amine?
1-cyclohexyl-2-propylbenzimidazol-5-amine has a molecular weight of 257.38 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-propylbenzimidazol-5-amine is sourced from PubChem (CID 62507665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).