[4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine

C18H27N3 — CID 79525751

IUPAC[4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine
SMILESCc1ccc2c(c1)nc(C1CCC(CN)CC1)n2C(C)C
InChIInChI=1S/C18H27N3/c1-12(2)21-17-9-4-13(3)10-16(17)20-18(21)15-7-5-14(11-19)6-8-15/h4,9-10,12,14-15H,5-8,11,19H2,1-3H3
InChIKeyGXSIJFDSIPQVAX-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.16
Rot. Bonds3

About [4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine

[4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine (PubChem CID 79525751) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is [4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine
PubChem CID79525751
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name[4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine
SMILESCc1ccc2c(c1)nc(C1CCC(CN)CC1)n2C(C)C
InChIInChI=1S/C18H27N3/c1-12(2)21-17-9-4-13(3)10-16(17)20-18(21)15-7-5-14(11-19)6-8-15/h4,9-10,12,14-15H,5-8,11,19H2,1-3H3
InChIKeyGXSIJFDSIPQVAX-UHFFFAOYSA-N
XLogP4.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-cyclobutyl-1-propan-2-ylbenzimidazol-5-yl)methanamine
CID 65037850
2-cyclohexyl-1-propan-2-ylbenzimidazol-5-amine
CID 82380445
(5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 60784993
2-cyclopropyl-1-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322840
cis-(1S,3R)-3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine
CID 106322507
2-cyclobutyl-1-propan-2-ylbenzimidazol-5-ol
CID 84693728
2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 60785148
2-piperidin-4-yl-1,5-di(propan-2-yl)benzimidazole
CID 82334138
2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103979426
3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54919824
3-(1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine
CID 66032382
2-cycloheptyl-1-propan-2-ylbenzimidazole-5-carbonitrile
CID 65040645

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine?
The IUPAC name of [4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine (CID 79525751) is [4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine is Cc1ccc2c(c1)nc(C1CCC(CN)CC1)n2C(C)C.
What is the InChIKey of [4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine?
The InChIKey is GXSIJFDSIPQVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-12(2)21-17-9-4-13(3)10-16(17)20-18(21)15-7-5-14(11-19)6-8-15/h4,9-10,12,14-15H,5-8,11,19H2,1-3H3.
What are the key properties of [4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine?
[4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine has a molecular weight of 285.44 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 79525751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).