1-[(1R,3R)-3-methylcyclohexyl]-N-(4-propan-2-yloxyphenyl)benzimidazol-2-amine

C23H29N3O — CID 118311039

IUPAC1-[(1R,3R)-3-methylcyclohexyl]-N-(4-propan-2-yloxyphenyl)benzimidazol-2-amine
SMILESCC(C)Oc1ccc(Nc2nc3ccccc3n2[C@@H]2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C23H29N3O/c1-16(2)27-20-13-11-18(12-14-20)24-23-25-21-9-4-5-10-22(21)26(23)19-8-6-7-17(3)15-19/h4-5,9-14,16-17,19H,6-8,15H2,1-3H3,(H,24,25)/t17-,19-/m1/s1
InChIKeyUUECNAKSHFUENG-IEBWSBKVSA-N
MW363.51 g/mol
LogP6.32
Rot. Bonds5

About 1-[(1R,3R)-3-methylcyclohexyl]-N-(4-propan-2-yloxyphenyl)benzimidazol-2-amine

1-[(1R,3R)-3-methylcyclohexyl]-N-(4-propan-2-yloxyphenyl)benzimidazol-2-amine (PubChem CID 118311039) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-[(1R,3R)-3-methylcyclohexyl]-N-(4-propan-2-yloxyphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-[(1R,3R)-3-methylcyclohexyl]-N-(4-propan-2-yloxyphenyl)benzimidazol-2-amine
PubChem CID118311039
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name1-[(1R,3R)-3-methylcyclohexyl]-N-(4-propan-2-yloxyphenyl)benzimidazol-2-amine
SMILESCC(C)Oc1ccc(Nc2nc3ccccc3n2[C@@H]2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C23H29N3O/c1-16(2)27-20-13-11-18(12-14-20)24-23-25-21-9-4-5-10-22(21)26(23)19-8-6-7-17(3)15-19/h4-5,9-14,16-17,19H,6-8,15H2,1-3H3,(H,24,25)/t17-,19-/m1/s1
InChIKeyUUECNAKSHFUENG-IEBWSBKVSA-N
XLogP6.32
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.51
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1R,3R)-3-methylcyclohexyl]-N-(4-propan-2-yloxyphenyl)benzimidazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3R)-3-methylcyclohexyl]-N-(4-propan-2-yloxyphenyl)benzimidazol-2-amine?
The IUPAC name of 1-[(1R,3R)-3-methylcyclohexyl]-N-(4-propan-2-yloxyphenyl)benzimidazol-2-amine (CID 118311039) is 1-[(1R,3R)-3-methylcyclohexyl]-N-(4-propan-2-yloxyphenyl)benzimidazol-2-amine.
What is the SMILES notation for 1-[(1R,3R)-3-methylcyclohexyl]-N-(4-propan-2-yloxyphenyl)benzimidazol-2-amine?
The canonical SMILES for 1-[(1R,3R)-3-methylcyclohexyl]-N-(4-propan-2-yloxyphenyl)benzimidazol-2-amine is CC(C)Oc1ccc(Nc2nc3ccccc3n2[C@@H]2CCC[C@@H](C)C2)cc1.
What is the InChIKey of 1-[(1R,3R)-3-methylcyclohexyl]-N-(4-propan-2-yloxyphenyl)benzimidazol-2-amine?
The InChIKey is UUECNAKSHFUENG-IEBWSBKVSA-N. The full InChI is InChI=1S/C23H29N3O/c1-16(2)27-20-13-11-18(12-14-20)24-23-25-21-9-4-5-10-22(21)26(23)19-8-6-7-17(3)15-19/h4-5,9-14,16-17,19H,6-8,15H2,1-3H3,(H,24,25)/t17-,19-/m1/s1.
What are the key properties of 1-[(1R,3R)-3-methylcyclohexyl]-N-(4-propan-2-yloxyphenyl)benzimidazol-2-amine?
1-[(1R,3R)-3-methylcyclohexyl]-N-(4-propan-2-yloxyphenyl)benzimidazol-2-amine has a molecular weight of 363.51 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3R)-3-methylcyclohexyl]-N-(4-propan-2-yloxyphenyl)benzimidazol-2-amine is sourced from PubChem (CID 118311039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).