2-cyclopentyl-5-[4-[7-(2-cyclopentyl-1H-imidazol-5-yl)-1-methyl-2,3-dihydro-1H-inden-4-yl]phenyl]-1H-imidazole

C32H36N4 — CID 118314345

IUPAC2-cyclopentyl-5-[4-[7-(2-cyclopentyl-1H-imidazol-5-yl)-1-methyl-2,3-dihydro-1H-inden-4-yl]phenyl]-1H-imidazole
SMILESCC1CCc2c(-c3ccc(-c4cnc(C5CCCC5)[nH]4)cc3)ccc(-c3cnc(C4CCCC4)[nH]3)c21
InChIInChI=1S/C32H36N4/c1-20-10-15-26-25(16-17-27(30(20)26)29-19-34-32(36-29)24-8-4-5-9-24)21-11-13-22(14-12-21)28-18-33-31(35-28)23-6-2-3-7-23/h11-14,16-20,23-24H,2-10,15H2,1H3,(H,33,35)(H,34,36)
InChIKeyHSWQEGQTZLVLNQ-UHFFFAOYSA-N
MW476.67 g/mol
LogP8.50
Rot. Bonds5

About 2-cyclopentyl-5-[4-[7-(2-cyclopentyl-1H-imidazol-5-yl)-1-methyl-2,3-dihydro-1H-inden-4-yl]phenyl]-1H-imidazole

2-cyclopentyl-5-[4-[7-(2-cyclopentyl-1H-imidazol-5-yl)-1-methyl-2,3-dihydro-1H-inden-4-yl]phenyl]-1H-imidazole (PubChem CID 118314345) has the molecular formula C32H36N4 and a molecular weight of 476.67 g/mol. Its IUPAC name is 2-cyclopentyl-5-[4-[7-(2-cyclopentyl-1H-imidazol-5-yl)-1-methyl-2,3-dihydro-1H-inden-4-yl]phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-cyclopentyl-5-[4-[7-(2-cyclopentyl-1H-imidazol-5-yl)-1-methyl-2,3-dihydro-1H-inden-4-yl]phenyl]-1H-imidazole
PubChem CID118314345
Molecular FormulaC32H36N4
Molecular Weight476.67 g/mol
Exact Mass476.29
IUPAC Name2-cyclopentyl-5-[4-[7-(2-cyclopentyl-1H-imidazol-5-yl)-1-methyl-2,3-dihydro-1H-inden-4-yl]phenyl]-1H-imidazole
SMILESCC1CCc2c(-c3ccc(-c4cnc(C5CCCC5)[nH]4)cc3)ccc(-c3cnc(C4CCCC4)[nH]3)c21
InChIInChI=1S/C32H36N4/c1-20-10-15-26-25(16-17-27(30(20)26)29-19-34-32(36-29)24-8-4-5-9-24)21-11-13-22(14-12-21)28-18-33-31(35-28)23-6-2-3-7-23/h11-14,16-20,23-24H,2-10,15H2,1H3,(H,33,35)(H,34,36)
InChIKeyHSWQEGQTZLVLNQ-UHFFFAOYSA-N
XLogP8.50
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.67
LogP ≤ 58.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-5-(4-fluorophenyl)-1H-imidazole
CID 90241425
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CID 144563616
4-(2-cyclobutyl-1H-imidazol-5-yl)benzene-1,2-diol
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CID 58490822
3,10-bis(2-cyclopentyl-1H-imidazol-5-yl)-12-methyl-6H-indolo[1,2-c][1,3]benzoxazine
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4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]cyclohexan-1-ol
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tert-butyl (2S,5S)-2-methyl-5-[5-[4-[6-[2-[(2S,5S)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 118266998
4-(5-phenyl-1H-imidazol-2-yl)piperidine
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3-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine
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(2S)-1-[(2S)-2-[5-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2,3-dimethylbutan-1-ol
CID 162036626

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-[4-[7-(2-cyclopentyl-1H-imidazol-5-yl)-1-methyl-2,3-dihydro-1H-inden-4-yl]phenyl]-1H-imidazole?
The IUPAC name of 2-cyclopentyl-5-[4-[7-(2-cyclopentyl-1H-imidazol-5-yl)-1-methyl-2,3-dihydro-1H-inden-4-yl]phenyl]-1H-imidazole (CID 118314345) is 2-cyclopentyl-5-[4-[7-(2-cyclopentyl-1H-imidazol-5-yl)-1-methyl-2,3-dihydro-1H-inden-4-yl]phenyl]-1H-imidazole.
What is the SMILES notation for 2-cyclopentyl-5-[4-[7-(2-cyclopentyl-1H-imidazol-5-yl)-1-methyl-2,3-dihydro-1H-inden-4-yl]phenyl]-1H-imidazole?
The canonical SMILES for 2-cyclopentyl-5-[4-[7-(2-cyclopentyl-1H-imidazol-5-yl)-1-methyl-2,3-dihydro-1H-inden-4-yl]phenyl]-1H-imidazole is CC1CCc2c(-c3ccc(-c4cnc(C5CCCC5)[nH]4)cc3)ccc(-c3cnc(C4CCCC4)[nH]3)c21.
What is the InChIKey of 2-cyclopentyl-5-[4-[7-(2-cyclopentyl-1H-imidazol-5-yl)-1-methyl-2,3-dihydro-1H-inden-4-yl]phenyl]-1H-imidazole?
The InChIKey is HSWQEGQTZLVLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4/c1-20-10-15-26-25(16-17-27(30(20)26)29-19-34-32(36-29)24-8-4-5-9-24)21-11-13-22(14-12-21)28-18-33-31(35-28)23-6-2-3-7-23/h11-14,16-20,23-24H,2-10,15H2,1H3,(H,33,35)(H,34,36).
What are the key properties of 2-cyclopentyl-5-[4-[7-(2-cyclopentyl-1H-imidazol-5-yl)-1-methyl-2,3-dihydro-1H-inden-4-yl]phenyl]-1H-imidazole?
2-cyclopentyl-5-[4-[7-(2-cyclopentyl-1H-imidazol-5-yl)-1-methyl-2,3-dihydro-1H-inden-4-yl]phenyl]-1H-imidazole has a molecular weight of 476.67 g/mol, XLogP of 8.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-[4-[7-(2-cyclopentyl-1H-imidazol-5-yl)-1-methyl-2,3-dihydro-1H-inden-4-yl]phenyl]-1H-imidazole is sourced from PubChem (CID 118314345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).