1-(1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine

C16H23N3 — CID 61292527

IUPAC1-(1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine
SMILESCC(C)n1c(C2(N)CCCCC2)nc2ccccc21
InChIInChI=1S/C16H23N3/c1-12(2)19-14-9-5-4-8-13(14)18-15(19)16(17)10-6-3-7-11-16/h4-5,8-9,12H,3,6-7,10-11,17H2,1-2H3
InChIKeyLZYCEPYBQWDXAK-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.74
Rot. Bonds2

About 1-(1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine

1-(1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine (PubChem CID 61292527) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine
PubChem CID61292527
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine
SMILESCC(C)n1c(C2(N)CCCCC2)nc2ccccc21
InChIInChI=1S/C16H23N3/c1-12(2)19-14-9-5-4-8-13(14)18-15(19)16(17)10-6-3-7-11-16/h4-5,8-9,12H,3,6-7,10-11,17H2,1-2H3
InChIKeyLZYCEPYBQWDXAK-UHFFFAOYSA-N
XLogP3.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 1-(1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine (CID 61292527) is 1-(1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine is CC(C)n1c(C2(N)CCCCC2)nc2ccccc21.
What is the InChIKey of 1-(1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine?
The InChIKey is LZYCEPYBQWDXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12(2)19-14-9-5-4-8-13(14)18-15(19)16(17)10-6-3-7-11-16/h4-5,8-9,12H,3,6-7,10-11,17H2,1-2H3.
What are the key properties of 1-(1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine?
1-(1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 61292527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).