1-cyclohexylbenzimidazole-2,5-diamine

C13H18N4 — CID 84793894

IUPAC1-cyclohexylbenzimidazole-2,5-diamine
SMILESNc1ccc2c(c1)nc(N)n2C1CCCCC1
InChIInChI=1S/C13H18N4/c14-9-6-7-12-11(8-9)16-13(15)17(12)10-4-2-1-3-5-10/h6-8,10H,1-5,14H2,(H2,15,16)
InChIKeyPFEIUXMYVMRXRK-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.71
Rot. Bonds1

About 1-cyclohexylbenzimidazole-2,5-diamine

1-cyclohexylbenzimidazole-2,5-diamine (PubChem CID 84793894) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-cyclohexylbenzimidazole-2,5-diamine.

Molecular Properties

Compound Name1-cyclohexylbenzimidazole-2,5-diamine
PubChem CID84793894
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-cyclohexylbenzimidazole-2,5-diamine
SMILESNc1ccc2c(c1)nc(N)n2C1CCCCC1
InChIInChI=1S/C13H18N4/c14-9-6-7-12-11(8-9)16-13(15)17(12)10-4-2-1-3-5-10/h6-8,10H,1-5,14H2,(H2,15,16)
InChIKeyPFEIUXMYVMRXRK-UHFFFAOYSA-N
XLogP2.71
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
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 1-cyclohexylbenzimidazole-2,5-diamine?
The IUPAC name of 1-cyclohexylbenzimidazole-2,5-diamine (CID 84793894) is 1-cyclohexylbenzimidazole-2,5-diamine.
What is the SMILES notation for 1-cyclohexylbenzimidazole-2,5-diamine?
The canonical SMILES for 1-cyclohexylbenzimidazole-2,5-diamine is Nc1ccc2c(c1)nc(N)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexylbenzimidazole-2,5-diamine?
The InChIKey is PFEIUXMYVMRXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c14-9-6-7-12-11(8-9)16-13(15)17(12)10-4-2-1-3-5-10/h6-8,10H,1-5,14H2,(H2,15,16).
What are the key properties of 1-cyclohexylbenzimidazole-2,5-diamine?
1-cyclohexylbenzimidazole-2,5-diamine has a molecular weight of 230.31 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylbenzimidazole-2,5-diamine is sourced from PubChem (CID 84793894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).