2-cyclohexyl-1-propan-2-ylbenzimidazol-5-amine

C16H23N3 — CID 82380445

IUPAC2-cyclohexyl-1-propan-2-ylbenzimidazol-5-amine
SMILESCC(C)n1c(C2CCCCC2)nc2cc(N)ccc21
InChIInChI=1S/C16H23N3/c1-11(2)19-15-9-8-13(17)10-14(15)18-16(19)12-6-4-3-5-7-12/h8-12H,3-7,17H2,1-2H3
InChIKeyXXUHLYBUQUTINH-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.25
Rot. Bonds2

About 2-cyclohexyl-1-propan-2-ylbenzimidazol-5-amine

2-cyclohexyl-1-propan-2-ylbenzimidazol-5-amine (PubChem CID 82380445) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-cyclohexyl-1-propan-2-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name2-cyclohexyl-1-propan-2-ylbenzimidazol-5-amine
PubChem CID82380445
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-cyclohexyl-1-propan-2-ylbenzimidazol-5-amine
SMILESCC(C)n1c(C2CCCCC2)nc2cc(N)ccc21
InChIInChI=1S/C16H23N3/c1-11(2)19-15-9-8-13(17)10-14(15)18-16(19)12-6-4-3-5-7-12/h8-12H,3-7,17H2,1-2H3
InChIKeyXXUHLYBUQUTINH-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cycloheptyl-1-propan-2-ylbenzimidazole-5-carbonitrile
CID 65040645
2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine
CID 82380447
2-cyclobutyl-1-propan-2-ylbenzimidazol-5-ol
CID 84693728
(2-cyclobutyl-1-propan-2-ylbenzimidazol-5-yl)methanamine
CID 65037850
2-cyclopentyl-1-ethylbenzimidazol-5-amine
CID 82391011
[4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 79525751
2-cyclopropyl-1-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322840
2-piperidin-4-yl-1,5-di(propan-2-yl)benzimidazole
CID 82334138
2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide
CID 103113458
1-(1-cyclopropylethyl)-2-methylbenzimidazol-5-amine
CID 62507037
2-cyclopropyl-1-(2-propan-2-yloxyethyl)benzimidazol-5-amine
CID 104765893
cis-(1S,3R)-3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine
CID 106322507

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-propan-2-ylbenzimidazol-5-amine?
The IUPAC name of 2-cyclohexyl-1-propan-2-ylbenzimidazol-5-amine (CID 82380445) is 2-cyclohexyl-1-propan-2-ylbenzimidazol-5-amine.
What is the SMILES notation for 2-cyclohexyl-1-propan-2-ylbenzimidazol-5-amine?
The canonical SMILES for 2-cyclohexyl-1-propan-2-ylbenzimidazol-5-amine is CC(C)n1c(C2CCCCC2)nc2cc(N)ccc21.
What is the InChIKey of 2-cyclohexyl-1-propan-2-ylbenzimidazol-5-amine?
The InChIKey is XXUHLYBUQUTINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11(2)19-15-9-8-13(17)10-14(15)18-16(19)12-6-4-3-5-7-12/h8-12H,3-7,17H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-propan-2-ylbenzimidazol-5-amine?
2-cyclohexyl-1-propan-2-ylbenzimidazol-5-amine has a molecular weight of 257.38 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-propan-2-ylbenzimidazol-5-amine is sourced from PubChem (CID 82380445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).