(3S)-1,4-dicyclopentyl-3,4-dimethyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole

C29H38N2 — CID 162706306

IUPAC(3S)-1,4-dicyclopentyl-3,4-dimethyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole
SMILESCc1ccccc1N1C(C2CCCC2)N2c3ccccc3C(C)(C3CCCC3)C2[C@@H]1C
InChIInChI=1S/C29H38N2/c1-20-12-4-10-18-25(20)30-21(2)27-29(3,23-15-7-8-16-23)24-17-9-11-19-26(24)31(27)28(30)22-13-5-6-14-22/h4,9-12,17-19,21-23,27-28H,5-8,13-16H2,1-3H3/t21-,27?,28?,29?/m0/s1
InChIKeyZGWMUICYBIDMAY-WISLVMQUSA-N
MW414.64 g/mol
LogP7.06
Rot. Bonds3

About (3S)-1,4-dicyclopentyl-3,4-dimethyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole

(3S)-1,4-dicyclopentyl-3,4-dimethyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole (PubChem CID 162706306) has the molecular formula C29H38N2 and a molecular weight of 414.64 g/mol. Its IUPAC name is (3S)-1,4-dicyclopentyl-3,4-dimethyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole.

Molecular Properties

Compound Name(3S)-1,4-dicyclopentyl-3,4-dimethyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole
PubChem CID162706306
Molecular FormulaC29H38N2
Molecular Weight414.64 g/mol
Exact Mass414.30
IUPAC Name(3S)-1,4-dicyclopentyl-3,4-dimethyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole
SMILESCc1ccccc1N1C(C2CCCC2)N2c3ccccc3C(C)(C3CCCC3)C2[C@@H]1C
InChIInChI=1S/C29H38N2/c1-20-12-4-10-18-25(20)30-21(2)27-29(3,23-15-7-8-16-23)24-17-9-11-19-26(24)31(27)28(30)22-13-5-6-14-22/h4,9-12,17-19,21-23,27-28H,5-8,13-16H2,1-3H3/t21-,27?,28?,29?/m0/s1
InChIKeyZGWMUICYBIDMAY-WISLVMQUSA-N
XLogP7.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.64
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1,4-dicyclopentyl-3,4-dimethyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole?
The IUPAC name of (3S)-1,4-dicyclopentyl-3,4-dimethyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole (CID 162706306) is (3S)-1,4-dicyclopentyl-3,4-dimethyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole.
What is the SMILES notation for (3S)-1,4-dicyclopentyl-3,4-dimethyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole?
The canonical SMILES for (3S)-1,4-dicyclopentyl-3,4-dimethyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole is Cc1ccccc1N1C(C2CCCC2)N2c3ccccc3C(C)(C3CCCC3)C2[C@@H]1C.
What is the InChIKey of (3S)-1,4-dicyclopentyl-3,4-dimethyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole?
The InChIKey is ZGWMUICYBIDMAY-WISLVMQUSA-N. The full InChI is InChI=1S/C29H38N2/c1-20-12-4-10-18-25(20)30-21(2)27-29(3,23-15-7-8-16-23)24-17-9-11-19-26(24)31(27)28(30)22-13-5-6-14-22/h4,9-12,17-19,21-23,27-28H,5-8,13-16H2,1-3H3/t21-,27?,28?,29?/m0/s1.
What are the key properties of (3S)-1,4-dicyclopentyl-3,4-dimethyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole?
(3S)-1,4-dicyclopentyl-3,4-dimethyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole has a molecular weight of 414.64 g/mol, XLogP of 7.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,4-dicyclopentyl-3,4-dimethyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole is sourced from PubChem (CID 162706306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).