N-(2,4-diethylphenyl)-1-[(1S)-3,3-dimethylcyclohexyl]benzimidazol-2-amine

C25H33N3 — CID 146174514

IUPACN-(2,4-diethylphenyl)-1-[(1S)-3,3-dimethylcyclohexyl]benzimidazol-2-amine
SMILESCCc1ccc(Nc2nc3ccccc3n2[C@H]2CCCC(C)(C)C2)c(CC)c1
InChIInChI=1S/C25H33N3/c1-5-18-13-14-21(19(6-2)16-18)26-24-27-22-11-7-8-12-23(22)28(24)20-10-9-15-25(3,4)17-20/h7-8,11-14,16,20H,5-6,9-10,15,17H2,1-4H3,(H,26,27)/t20-/m0/s1
InChIKeyKZTYOMOYGKVIKK-FQEVSTJZSA-N
MW375.56 g/mol
LogP7.05
Rot. Bonds5

About N-(2,4-diethylphenyl)-1-[(1S)-3,3-dimethylcyclohexyl]benzimidazol-2-amine

N-(2,4-diethylphenyl)-1-[(1S)-3,3-dimethylcyclohexyl]benzimidazol-2-amine (PubChem CID 146174514) has the molecular formula C25H33N3 and a molecular weight of 375.56 g/mol. Its IUPAC name is N-(2,4-diethylphenyl)-1-[(1S)-3,3-dimethylcyclohexyl]benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2,4-diethylphenyl)-1-[(1S)-3,3-dimethylcyclohexyl]benzimidazol-2-amine
PubChem CID146174514
Molecular FormulaC25H33N3
Molecular Weight375.56 g/mol
Exact Mass375.27
IUPAC NameN-(2,4-diethylphenyl)-1-[(1S)-3,3-dimethylcyclohexyl]benzimidazol-2-amine
SMILESCCc1ccc(Nc2nc3ccccc3n2[C@H]2CCCC(C)(C)C2)c(CC)c1
InChIInChI=1S/C25H33N3/c1-5-18-13-14-21(19(6-2)16-18)26-24-27-22-11-7-8-12-23(22)28(24)20-10-9-15-25(3,4)17-20/h7-8,11-14,16,20H,5-6,9-10,15,17H2,1-4H3,(H,26,27)/t20-/m0/s1
InChIKeyKZTYOMOYGKVIKK-FQEVSTJZSA-N
XLogP7.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.56
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-diethylphenyl)-1-[(1S)-3,3-dimethylcyclohexyl]benzimidazol-2-amine?
The IUPAC name of N-(2,4-diethylphenyl)-1-[(1S)-3,3-dimethylcyclohexyl]benzimidazol-2-amine (CID 146174514) is N-(2,4-diethylphenyl)-1-[(1S)-3,3-dimethylcyclohexyl]benzimidazol-2-amine.
What is the SMILES notation for N-(2,4-diethylphenyl)-1-[(1S)-3,3-dimethylcyclohexyl]benzimidazol-2-amine?
The canonical SMILES for N-(2,4-diethylphenyl)-1-[(1S)-3,3-dimethylcyclohexyl]benzimidazol-2-amine is CCc1ccc(Nc2nc3ccccc3n2[C@H]2CCCC(C)(C)C2)c(CC)c1.
What is the InChIKey of N-(2,4-diethylphenyl)-1-[(1S)-3,3-dimethylcyclohexyl]benzimidazol-2-amine?
The InChIKey is KZTYOMOYGKVIKK-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H33N3/c1-5-18-13-14-21(19(6-2)16-18)26-24-27-22-11-7-8-12-23(22)28(24)20-10-9-15-25(3,4)17-20/h7-8,11-14,16,20H,5-6,9-10,15,17H2,1-4H3,(H,26,27)/t20-/m0/s1.
What are the key properties of N-(2,4-diethylphenyl)-1-[(1S)-3,3-dimethylcyclohexyl]benzimidazol-2-amine?
N-(2,4-diethylphenyl)-1-[(1S)-3,3-dimethylcyclohexyl]benzimidazol-2-amine has a molecular weight of 375.56 g/mol, XLogP of 7.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diethylphenyl)-1-[(1S)-3,3-dimethylcyclohexyl]benzimidazol-2-amine is sourced from PubChem (CID 146174514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).