1-(4-chlorophenyl)-5-[(1,3-diphenylimidazolidin-2-yl)methyl]tetrazole

C23H21ClN6 — CID 2825409

IUPAC1-(4-chlorophenyl)-5-[(1,3-diphenylimidazolidin-2-yl)methyl]tetrazole
SMILESClc1ccc(-n2nnnc2CC2N(c3ccccc3)CCN2c2ccccc2)cc1
InChIInChI=1S/C23H21ClN6/c24-18-11-13-21(14-12-18)30-22(25-26-27-30)17-23-28(19-7-3-1-4-8-19)15-16-29(23)20-9-5-2-6-10-20/h1-14,23H,15-17H2
InChIKeyKSLHZPFBDKBEGP-UHFFFAOYSA-N
MW416.92 g/mol
LogP4.21
Rot. Bonds5

About 1-(4-chlorophenyl)-5-[(1,3-diphenylimidazolidin-2-yl)methyl]tetrazole

1-(4-chlorophenyl)-5-[(1,3-diphenylimidazolidin-2-yl)methyl]tetrazole (PubChem CID 2825409) has the molecular formula C23H21ClN6 and a molecular weight of 416.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-[(1,3-diphenylimidazolidin-2-yl)methyl]tetrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-[(1,3-diphenylimidazolidin-2-yl)methyl]tetrazole
PubChem CID2825409
Molecular FormulaC23H21ClN6
Molecular Weight416.92 g/mol
Exact Mass416.15
IUPAC Name1-(4-chlorophenyl)-5-[(1,3-diphenylimidazolidin-2-yl)methyl]tetrazole
SMILESClc1ccc(-n2nnnc2CC2N(c3ccccc3)CCN2c2ccccc2)cc1
InChIInChI=1S/C23H21ClN6/c24-18-11-13-21(14-12-18)30-22(25-26-27-30)17-23-28(19-7-3-1-4-8-19)15-16-29(23)20-9-5-2-6-10-20/h1-14,23H,15-17H2
InChIKeyKSLHZPFBDKBEGP-UHFFFAOYSA-N
XLogP4.21
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.92
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-Chlorophenyl)-1H-tetraazol-5-yl]-N,N-dimethylcyclohexanamine
CID 581177
1-[1-(4-Chloro-phenyl)-1H-tetrazol-5-ylmethyl]-4-methyl-piperidine
CID 3167930
2-[1-(4-chlorophenyl)-1H-1,2,3,4-tetraazol-5-yl]acetaldehyde 1-methyl-1-phenylhydrazone
CID 9583261
1-(3-Chlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine
CID 1448780
1-[[1-(4-Chlorophenyl)tetrazol-5-yl]methyl]-3-methylpiperidine
CID 3184561
1-(3,4-dichlorophenyl)-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine
CID 2132380
[(1E)-2-(1-phenyl(1,2,3,4-tetraazol-5-yl))vinyl](2-{[(1E)-2-(1-phenyl(1,2,3,4-tetraazol-5-yl))vinyl]methylamino}ethyl)methylamine
CID 5714579
N-[(E)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]-N-ethylaniline
CID 5716477
1-(4-Chlorophenyl)-5-(2-dimethylaminoethenyl)-1H-tetrazole
CID 5367727
1-(3-Chlorophenyl)-4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperazine
CID 2815398
Cambridge id 5530708
CID 2850292
1-{1-[1-(3-chlorophenyl)-1H-tetrazol-5-yl]cyclohexyl}piperidine
CID 3893153

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-[(1,3-diphenylimidazolidin-2-yl)methyl]tetrazole?
The IUPAC name of 1-(4-chlorophenyl)-5-[(1,3-diphenylimidazolidin-2-yl)methyl]tetrazole (CID 2825409) is 1-(4-chlorophenyl)-5-[(1,3-diphenylimidazolidin-2-yl)methyl]tetrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-[(1,3-diphenylimidazolidin-2-yl)methyl]tetrazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-[(1,3-diphenylimidazolidin-2-yl)methyl]tetrazole is Clc1ccc(-n2nnnc2CC2N(c3ccccc3)CCN2c2ccccc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-[(1,3-diphenylimidazolidin-2-yl)methyl]tetrazole?
The InChIKey is KSLHZPFBDKBEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6/c24-18-11-13-21(14-12-18)30-22(25-26-27-30)17-23-28(19-7-3-1-4-8-19)15-16-29(23)20-9-5-2-6-10-20/h1-14,23H,15-17H2.
What are the key properties of 1-(4-chlorophenyl)-5-[(1,3-diphenylimidazolidin-2-yl)methyl]tetrazole?
1-(4-chlorophenyl)-5-[(1,3-diphenylimidazolidin-2-yl)methyl]tetrazole has a molecular weight of 416.92 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-[(1,3-diphenylimidazolidin-2-yl)methyl]tetrazole is sourced from PubChem (CID 2825409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).