1,3-bis(cyclohexylmethyl)-5-(2-methylphenyl)indole

C29H37N — CID 142579626

IUPAC1,3-bis(cyclohexylmethyl)-5-(2-methylphenyl)indole
SMILESCc1ccccc1-c1ccc2c(c1)c(CC1CCCCC1)cn2CC1CCCCC1
InChIInChI=1S/C29H37N/c1-22-10-8-9-15-27(22)25-16-17-29-28(19-25)26(18-23-11-4-2-5-12-23)21-30(29)20-24-13-6-3-7-14-24/h8-10,15-17,19,21,23-24H,2-7,11-14,18,20H2,1H3
InChIKeyVRALCEUYJTUJHD-UHFFFAOYSA-N
MW399.62 g/mol
LogP8.32
Rot. Bonds5

About 1,3-bis(cyclohexylmethyl)-5-(2-methylphenyl)indole

1,3-bis(cyclohexylmethyl)-5-(2-methylphenyl)indole (PubChem CID 142579626) has the molecular formula C29H37N and a molecular weight of 399.62 g/mol. Its IUPAC name is 1,3-bis(cyclohexylmethyl)-5-(2-methylphenyl)indole.

Molecular Properties

Compound Name1,3-bis(cyclohexylmethyl)-5-(2-methylphenyl)indole
PubChem CID142579626
Molecular FormulaC29H37N
Molecular Weight399.62 g/mol
Exact Mass399.29
IUPAC Name1,3-bis(cyclohexylmethyl)-5-(2-methylphenyl)indole
SMILESCc1ccccc1-c1ccc2c(c1)c(CC1CCCCC1)cn2CC1CCCCC1
InChIInChI=1S/C29H37N/c1-22-10-8-9-15-27(22)25-16-17-29-28(19-25)26(18-23-11-4-2-5-12-23)21-30(29)20-24-13-6-3-7-14-24/h8-10,15-17,19,21,23-24H,2-7,11-14,18,20H2,1H3
InChIKeyVRALCEUYJTUJHD-UHFFFAOYSA-N
XLogP8.32
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.62
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-bis(cyclohexylmethyl)-5-(2-methylphenyl)indole 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

1,3-bis(cyclohexylmethyl)-5-[3-(trifluoromethoxy)phenyl]indole
CID 142579362
N'-[3-[1-cyclohexyl-5-(2-methylphenyl)indol-3-yl]propyl]propane-1,3-diamine;dihydrochloride
CID 159399992
1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one
CID 115107167
N-[[1-(cyclohexylmethyl)-5-methylindol-3-yl]methyl]-1-piperidin-4-ylmethanamine
CID 158440647
N-[3-[1-(cyclohexylmethyl)-5-(2-methoxyphenyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine
CID 142579624
1-[1-(cyclopentylmethyl)indol-3-yl]-N-methylpropan-2-amine
CID 115107196
4-N-[2-[1-(cyclohexylmethyl)-5-[3-(trifluoromethoxy)phenyl]indol-3-yl]ethyl]cyclohexane-1,4-diamine
CID 160659882
1,4-bis(cyclohexylmethyl)-2,5-dimethylbenzene
CID 59821631
2-[(1-cyclopropylpiperidin-4-yl)methyl]-6-(2-methylphenyl)isoquinolin-1-one
CID 141221739
N-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(2-methylphenyl)propyl]cyclohexanamine
CID 142579561
[1-(cyclobutylmethyl)-7-methylindol-3-yl]methanamine
CID 105485988
N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 162459944

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(cyclohexylmethyl)-5-(2-methylphenyl)indole?
The IUPAC name of 1,3-bis(cyclohexylmethyl)-5-(2-methylphenyl)indole (CID 142579626) is 1,3-bis(cyclohexylmethyl)-5-(2-methylphenyl)indole.
What is the SMILES notation for 1,3-bis(cyclohexylmethyl)-5-(2-methylphenyl)indole?
The canonical SMILES for 1,3-bis(cyclohexylmethyl)-5-(2-methylphenyl)indole is Cc1ccccc1-c1ccc2c(c1)c(CC1CCCCC1)cn2CC1CCCCC1.
What is the InChIKey of 1,3-bis(cyclohexylmethyl)-5-(2-methylphenyl)indole?
The InChIKey is VRALCEUYJTUJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N/c1-22-10-8-9-15-27(22)25-16-17-29-28(19-25)26(18-23-11-4-2-5-12-23)21-30(29)20-24-13-6-3-7-14-24/h8-10,15-17,19,21,23-24H,2-7,11-14,18,20H2,1H3.
What are the key properties of 1,3-bis(cyclohexylmethyl)-5-(2-methylphenyl)indole?
1,3-bis(cyclohexylmethyl)-5-(2-methylphenyl)indole has a molecular weight of 399.62 g/mol, XLogP of 8.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(cyclohexylmethyl)-5-(2-methylphenyl)indole is sourced from PubChem (CID 142579626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).