1-cyclohexyl-N-[[4-(6-methyl-3a,7a-dihydro-1H-benzimidazol-5-yl)cyclohexa-1,5-dien-1-yl]methyl]methanamine

C22H31N3 — CID 71132274

IUPAC1-cyclohexyl-N-[[4-(6-methyl-3a,7a-dihydro-1H-benzimidazol-5-yl)cyclohexa-1,5-dien-1-yl]methyl]methanamine
SMILESCC1=CC2NC=NC2C=C1C1C=CC(CNCC2CCCCC2)=CC1
InChIInChI=1S/C22H31N3/c1-16-11-21-22(25-15-24-21)12-20(16)19-9-7-18(8-10-19)14-23-13-17-5-3-2-4-6-17/h7-9,11-12,15,17,19,21-23H,2-6,10,13-14H2,1H3,(H,24,25)
InChIKeyNARJVIMXMHBOPM-UHFFFAOYSA-N
MW337.51 g/mol
LogP3.91
Rot. Bonds5

About 1-cyclohexyl-N-[[4-(6-methyl-3a,7a-dihydro-1H-benzimidazol-5-yl)cyclohexa-1,5-dien-1-yl]methyl]methanamine

1-cyclohexyl-N-[[4-(6-methyl-3a,7a-dihydro-1H-benzimidazol-5-yl)cyclohexa-1,5-dien-1-yl]methyl]methanamine (PubChem CID 71132274) has the molecular formula C22H31N3 and a molecular weight of 337.51 g/mol. Its IUPAC name is 1-cyclohexyl-N-[[4-(6-methyl-3a,7a-dihydro-1H-benzimidazol-5-yl)cyclohexa-1,5-dien-1-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[[4-(6-methyl-3a,7a-dihydro-1H-benzimidazol-5-yl)cyclohexa-1,5-dien-1-yl]methyl]methanamine
PubChem CID71132274
Molecular FormulaC22H31N3
Molecular Weight337.51 g/mol
Exact Mass337.25
IUPAC Name1-cyclohexyl-N-[[4-(6-methyl-3a,7a-dihydro-1H-benzimidazol-5-yl)cyclohexa-1,5-dien-1-yl]methyl]methanamine
SMILESCC1=CC2NC=NC2C=C1C1C=CC(CNCC2CCCCC2)=CC1
InChIInChI=1S/C22H31N3/c1-16-11-21-22(25-15-24-21)12-20(16)19-9-7-18(8-10-19)14-23-13-17-5-3-2-4-6-17/h7-9,11-12,15,17,19,21-23H,2-6,10,13-14H2,1H3,(H,24,25)
InChIKeyNARJVIMXMHBOPM-UHFFFAOYSA-N
XLogP3.91
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-N-[[4-(6-methyl-3a,7a-dihydro-1H-benzimidazol-5-yl)cyclohexa-1,5-dien-1-yl]methyl]methanamine 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-cyclohexyl-N-[[4-(6-methyl-3a,7a-dihydro-1H-benzimidazol-5-yl)cyclohexa-1,5-dien-1-yl]methyl]methanamine?
The IUPAC name of 1-cyclohexyl-N-[[4-(6-methyl-3a,7a-dihydro-1H-benzimidazol-5-yl)cyclohexa-1,5-dien-1-yl]methyl]methanamine (CID 71132274) is 1-cyclohexyl-N-[[4-(6-methyl-3a,7a-dihydro-1H-benzimidazol-5-yl)cyclohexa-1,5-dien-1-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclohexyl-N-[[4-(6-methyl-3a,7a-dihydro-1H-benzimidazol-5-yl)cyclohexa-1,5-dien-1-yl]methyl]methanamine?
The canonical SMILES for 1-cyclohexyl-N-[[4-(6-methyl-3a,7a-dihydro-1H-benzimidazol-5-yl)cyclohexa-1,5-dien-1-yl]methyl]methanamine is CC1=CC2NC=NC2C=C1C1C=CC(CNCC2CCCCC2)=CC1.
What is the InChIKey of 1-cyclohexyl-N-[[4-(6-methyl-3a,7a-dihydro-1H-benzimidazol-5-yl)cyclohexa-1,5-dien-1-yl]methyl]methanamine?
The InChIKey is NARJVIMXMHBOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3/c1-16-11-21-22(25-15-24-21)12-20(16)19-9-7-18(8-10-19)14-23-13-17-5-3-2-4-6-17/h7-9,11-12,15,17,19,21-23H,2-6,10,13-14H2,1H3,(H,24,25).
What are the key properties of 1-cyclohexyl-N-[[4-(6-methyl-3a,7a-dihydro-1H-benzimidazol-5-yl)cyclohexa-1,5-dien-1-yl]methyl]methanamine?
1-cyclohexyl-N-[[4-(6-methyl-3a,7a-dihydro-1H-benzimidazol-5-yl)cyclohexa-1,5-dien-1-yl]methyl]methanamine has a molecular weight of 337.51 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[[4-(6-methyl-3a,7a-dihydro-1H-benzimidazol-5-yl)cyclohexa-1,5-dien-1-yl]methyl]methanamine is sourced from PubChem (CID 71132274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).