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

C22H25N5 — CID 3173816

IUPAC1-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole
SMILESCc1ccc(C(c2nnnn2C2CCCC2)N2CCc3ccccc32)cc1
InChIInChI=1S/C22H25N5/c1-16-10-12-18(13-11-16)21(26-15-14-17-6-2-5-9-20(17)26)22-23-24-25-27(22)19-7-3-4-8-19/h2,5-6,9-13,19,21H,3-4,7-8,14-15H2,1H3
InChIKeyLWYDHIFSDUAOND-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.25
Rot. Bonds4

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

1-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole (PubChem CID 3173816) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 1-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole
PubChem CID3173816
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name1-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole
SMILESCc1ccc(C(c2nnnn2C2CCCC2)N2CCc3ccccc32)cc1
InChIInChI=1S/C22H25N5/c1-16-10-12-18(13-11-16)21(26-15-14-17-6-2-5-9-20(17)26)22-23-24-25-27(22)19-7-3-4-8-19/h2,5-6,9-13,19,21H,3-4,7-8,14-15H2,1H3
InChIKeyLWYDHIFSDUAOND-UHFFFAOYSA-N
XLogP4.25
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-Cyclohexyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-2,3-dihydro-1H-indole
CID 3173811
2-[(1-Cyclohexyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-octahydro-pyrrolo[1,2-a]pyrazine
CID 3193592
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-Tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine
CID 43812238
1-[(1-Butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine
CID 53300956
4-[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazin-8-yl]-N,N-dimethylaniline
CID 118169448
4-[7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazin-8-yl]-N,N-dimethylaniline
CID 118169545
1-(1-Cyclopentyl-1H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydro-quinoline
CID 644687
{4-[(1-Benzyl-1H-tetrazol-5-yl)-(4-methyl-piperidin-1-yl)-methyl]-phenyl}-dimethyl-amine
CID 645773

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole?
The IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole (CID 3173816) is 1-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole?
The canonical SMILES for 1-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole is Cc1ccc(C(c2nnnn2C2CCCC2)N2CCc3ccccc32)cc1.
What is the InChIKey of 1-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole?
The InChIKey is LWYDHIFSDUAOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-16-10-12-18(13-11-16)21(26-15-14-17-6-2-5-9-20(17)26)22-23-24-25-27(22)19-7-3-4-8-19/h2,5-6,9-13,19,21H,3-4,7-8,14-15H2,1H3.
What are the key properties of 1-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole?
1-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole has a molecular weight of 359.48 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-2,3-dihydroindole is sourced from PubChem (CID 3173816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).