N-benzyl-N-[(4-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine

C25H26ClN5S — CID 3193673

IUPACN-benzyl-N-[(4-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine
SMILESClc1ccc(CN(Cc2ccccc2)C(c2cccs2)c2nnnn2C2CCCC2)cc1
InChIInChI=1S/C25H26ClN5S/c26-21-14-12-20(13-15-21)18-30(17-19-7-2-1-3-8-19)24(23-11-6-16-32-23)25-27-28-29-31(25)22-9-4-5-10-22/h1-3,6-8,11-16,22,24H,4-5,9-10,17-18H2
InChIKeyZSDGNRIOOWGFQX-UHFFFAOYSA-N
MW464.04 g/mol
LogP6.29
Rot. Bonds8

About N-benzyl-N-[(4-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine

N-benzyl-N-[(4-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine (PubChem CID 3193673) has the molecular formula C25H26ClN5S and a molecular weight of 464.04 g/mol. Its IUPAC name is N-benzyl-N-[(4-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(4-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine
PubChem CID3193673
Molecular FormulaC25H26ClN5S
Molecular Weight464.04 g/mol
Exact Mass463.16
IUPAC NameN-benzyl-N-[(4-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine
SMILESClc1ccc(CN(Cc2ccccc2)C(c2cccs2)c2nnnn2C2CCCC2)cc1
InChIInChI=1S/C25H26ClN5S/c26-21-14-12-20(13-15-21)18-30(17-19-7-2-1-3-8-19)24(23-11-6-16-32-23)25-27-28-29-31(25)22-9-4-5-10-22/h1-3,6-8,11-16,22,24H,4-5,9-10,17-18H2
InChIKeyZSDGNRIOOWGFQX-UHFFFAOYSA-N
XLogP6.29
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.04
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Benzyl-[1-(1-tert-butyl-1H-tetrazol-5-yl)-2-methyl-propyl]-thiophen-2-ylmethyl-amine
CID 648935
4-Benzyl-3-[(4-chlorophenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazole
CID 11153733
1-Ethyl-4-[(4-fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 647074
1-Cyclohexyl-4-[(4-fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 650502
4-Benzyl-1-[(1-cyclopentyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-piperidine
CID 651241
N-[(1-cyclohexyl-5-tetrazolyl)-thiophen-2-ylmethyl]-N-(phenylmethyl)ethanamine
CID 654196
1-{[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-azepane
CID 654539
1-Cyclopentyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 655925
Benzyl-[(1-cyclohexyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-(4-fluoro-benzyl)-amine
CID 3193725
N-[(4-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylmethanamine
CID 3193751
2-[(1-Benzyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-1,2,3,4-tetrahydro-isoquinoline
CID 6602562
1-Cyclopentyl-4-[(4-fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 6602655

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(4-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine?
The IUPAC name of N-benzyl-N-[(4-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine (CID 3193673) is N-benzyl-N-[(4-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-benzyl-N-[(4-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-benzyl-N-[(4-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine is Clc1ccc(CN(Cc2ccccc2)C(c2cccs2)c2nnnn2C2CCCC2)cc1.
What is the InChIKey of N-benzyl-N-[(4-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine?
The InChIKey is ZSDGNRIOOWGFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5S/c26-21-14-12-20(13-15-21)18-30(17-19-7-2-1-3-8-19)24(23-11-6-16-32-23)25-27-28-29-31(25)22-9-4-5-10-22/h1-3,6-8,11-16,22,24H,4-5,9-10,17-18H2.
What are the key properties of N-benzyl-N-[(4-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine?
N-benzyl-N-[(4-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine has a molecular weight of 464.04 g/mol, XLogP of 6.29, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(4-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 3193673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).