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

C23H28ClN5 — CID 12004719

IUPAC1-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-2-methyl-2,3-dihydroindole;hydrochloride
SMILESCc1ccc(C(c2nnnn2C2CCCC2)N2c3ccccc3CC2C)cc1.Cl
InChIInChI=1S/C23H27N5.ClH/c1-16-11-13-18(14-12-16)22(23-24-25-26-28(23)20-8-4-5-9-20)27-17(2)15-19-7-3-6-10-21(19)27;/h3,6-7,10-14,17,20,22H,4-5,8-9,15H2,1-2H3;1H
InChIKeyRGAZWMXXRJDKEO-UHFFFAOYSA-N
MW409.97 g/mol
LogP5.06
Rot. Bonds4

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

1-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-2-methyl-2,3-dihydroindole;hydrochloride (PubChem CID 12004719) has the molecular formula C23H28ClN5 and a molecular weight of 409.97 g/mol. Its IUPAC name is 1-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-2-methyl-2,3-dihydroindole;hydrochloride.

Molecular Properties

Compound Name1-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-2-methyl-2,3-dihydroindole;hydrochloride
PubChem CID12004719
Molecular FormulaC23H28ClN5
Molecular Weight409.97 g/mol
Exact Mass409.20
IUPAC Name1-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-2-methyl-2,3-dihydroindole;hydrochloride
SMILESCc1ccc(C(c2nnnn2C2CCCC2)N2c3ccccc3CC2C)cc1.Cl
InChIInChI=1S/C23H27N5.ClH/c1-16-11-13-18(14-12-16)22(23-24-25-26-28(23)20-8-4-5-9-20)27-17(2)15-19-7-3-6-10-21(19)27;/h3,6-7,10-14,17,20,22H,4-5,8-9,15H2,1-2H3;1H
InChIKeyRGAZWMXXRJDKEO-UHFFFAOYSA-N
XLogP5.06
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.97
LogP ≤ 55.06
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
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-2,3-dihydro-1H-indole
CID 3173816
1-(1-Phenethyl-1H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydro-quinoline
CID 6603629
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
1-(1-Phenethyl-1H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-indole
CID 647364

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-2-methyl-2,3-dihydroindole;hydrochloride?
The IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-2-methyl-2,3-dihydroindole;hydrochloride (CID 12004719) is 1-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-2-methyl-2,3-dihydroindole;hydrochloride.
What is the SMILES notation for 1-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-2-methyl-2,3-dihydroindole;hydrochloride?
The canonical SMILES for 1-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-2-methyl-2,3-dihydroindole;hydrochloride is Cc1ccc(C(c2nnnn2C2CCCC2)N2c3ccccc3CC2C)cc1.Cl.
What is the InChIKey of 1-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-2-methyl-2,3-dihydroindole;hydrochloride?
The InChIKey is RGAZWMXXRJDKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5.ClH/c1-16-11-13-18(14-12-16)22(23-24-25-26-28(23)20-8-4-5-9-20)27-17(2)15-19-7-3-6-10-21(19)27;/h3,6-7,10-14,17,20,22H,4-5,8-9,15H2,1-2H3;1H.
What are the key properties of 1-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-2-methyl-2,3-dihydroindole;hydrochloride?
1-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-2-methyl-2,3-dihydroindole;hydrochloride has a molecular weight of 409.97 g/mol, XLogP of 5.06, 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-methyl-2,3-dihydroindole;hydrochloride is sourced from PubChem (CID 12004719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).