1-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole

C23H27N5 — CID 3173811

IUPAC1-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole
SMILESCc1ccc(C(c2nnnn2C2CCCCC2)N2CCc3ccccc32)cc1
InChIInChI=1S/C23H27N5/c1-17-11-13-19(14-12-17)22(27-16-15-18-7-5-6-10-21(18)27)23-24-25-26-28(23)20-8-3-2-4-9-20/h5-7,10-14,20,22H,2-4,8-9,15-16H2,1H3
InChIKeyGDSRSYZFFCETCF-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.64
Rot. Bonds4

About 1-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole

1-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole (PubChem CID 3173811) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole
PubChem CID3173811
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC Name1-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole
SMILESCc1ccc(C(c2nnnn2C2CCCCC2)N2CCc3ccccc32)cc1
InChIInChI=1S/C23H27N5/c1-17-11-13-19(14-12-17)22(27-16-15-18-7-5-6-10-21(18)27)23-24-25-26-28(23)20-8-3-2-4-9-20/h5-7,10-14,20,22H,2-4,8-9,15-16H2,1H3
InChIKeyGDSRSYZFFCETCF-UHFFFAOYSA-N
XLogP4.64
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-{(4-Cyclohexyl-piperazin-1-yl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-phenyl)-dimethyl-amine
CID 646036
3-{[4-(2,5-Dimethyl-phenyl)-piperazin-1-yl]-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-benzonitrile
CID 649376
1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-2-methyl-propyl]-2,3-dihydro-1H-indole
CID 652993
1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-2-methyl-propyl]-2-methyl-2,3-dihydro-1H-indole
CID 654995
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-2,3-dihydro-1H-indole
CID 3173816
2-[(1-Cyclohexyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-octahydro-pyrrolo[1,2-a]pyrazine
CID 3193592
1-[(4-Fluoro-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-1,2,3,4-tetrahydro-quinoline
CID 3213453
1-(1-Phenethyl-1H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydro-quinoline
CID 6603629
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-2-methyl-2,3-dihydro-1H-indole
CID 12004719
1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-phenylpropyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 51360405
1-[3-(5-Benzhydryltetrazol-1-yl)propyl]-4-(2-fluorophenyl)piperazine
CID 155530123
1-[3-(5-Benzhydryltetrazol-1-yl)propyl]-4-(4-methylphenyl)piperazine
CID 155545607

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole?
The IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole (CID 3173811) is 1-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole?
The canonical SMILES for 1-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole is Cc1ccc(C(c2nnnn2C2CCCCC2)N2CCc3ccccc32)cc1.
What is the InChIKey of 1-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole?
The InChIKey is GDSRSYZFFCETCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5/c1-17-11-13-19(14-12-17)22(27-16-15-18-7-5-6-10-21(18)27)23-24-25-26-28(23)20-8-3-2-4-9-20/h5-7,10-14,20,22H,2-4,8-9,15-16H2,1H3.
What are the key properties of 1-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole?
1-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole has a molecular weight of 373.50 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole is sourced from PubChem (CID 3173811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).