5-[5-(4-imidazol-1-ylphenyl)tetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid;hydrochloride

C23H22ClN7O5 — CID 70089529

IUPAC5-[5-(4-imidazol-1-ylphenyl)tetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid;hydrochloride
SMILESCl.O=C(O)CC(NC(=O)OCc1ccccc1)C(=O)Cn1nnc(-c2ccc(-n3ccnc3)cc2)n1
InChIInChI=1S/C23H21N7O5.ClH/c31-20(19(12-21(32)33)25-23(34)35-14-16-4-2-1-3-5-16)13-30-27-22(26-28-30)17-6-8-18(9-7-17)29-11-10-24-15-29;/h1-11,15,19H,12-14H2,(H,25,34)(H,32,33);1H
InChIKeyLJHCRVBXAKWJHL-UHFFFAOYSA-N
MW511.93 g/mol
LogP2.29
Rot. Bonds10

About 5-[5-(4-imidazol-1-ylphenyl)tetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid;hydrochloride

5-[5-(4-imidazol-1-ylphenyl)tetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid;hydrochloride (PubChem CID 70089529) has the molecular formula C23H22ClN7O5 and a molecular weight of 511.93 g/mol. Its IUPAC name is 5-[5-(4-imidazol-1-ylphenyl)tetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid;hydrochloride.

Molecular Properties

Compound Name5-[5-(4-imidazol-1-ylphenyl)tetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid;hydrochloride
PubChem CID70089529
Molecular FormulaC23H22ClN7O5
Molecular Weight511.93 g/mol
Exact Mass511.14
IUPAC Name5-[5-(4-imidazol-1-ylphenyl)tetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid;hydrochloride
SMILESCl.O=C(O)CC(NC(=O)OCc1ccccc1)C(=O)Cn1nnc(-c2ccc(-n3ccnc3)cc2)n1
InChIInChI=1S/C23H21N7O5.ClH/c31-20(19(12-21(32)33)25-23(34)35-14-16-4-2-1-3-5-16)13-30-27-22(26-28-30)17-6-8-18(9-7-17)29-11-10-24-15-29;/h1-11,15,19H,12-14H2,(H,25,34)(H,32,33);1H
InChIKeyLJHCRVBXAKWJHL-UHFFFAOYSA-N
XLogP2.29
TPSA154.12 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.93
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[5-(4-imidazol-1-ylphenyl)tetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 5-[5-(4-imidazol-1-ylphenyl)tetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate
CID 70092372
benzyl N-[(2S)-4-methyl-1-[[(3S)-5-methyl-2-oxo-1-[5-(4-phenylphenyl)tetrazol-2-yl]hexan-3-yl]amino]-1-oxopentan-2-yl]carbamate
CID 20791268
4-oxo-5-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 22614651
5-[5-(2-chloro-5-methylphenyl)tetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 54209336
5-[5-[2-(methylamino)-2-oxoethyl]tetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 22614693
5-[5-(4-aminophenyl)sulfanyltetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 23285527
4-oxo-3-(phenylmethoxycarbonylamino)-5-(5-pyridin-4-yltetrazol-1-yl)pentanoic acid;hydrochloride
CID 70164625
5-[5-(3,5-dichlorophenyl)sulfanyltetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 23285477
4-oxo-3-(phenylmethoxycarbonylamino)-5-(5-pyridin-4-yltetrazol-1-yl)pentanoic acid
CID 54038131
5-[5-(1H-benzimidazol-2-ylmethyl)tetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 18726066
4-oxo-3-(phenylmethoxycarbonylamino)-5-[5-[[3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]methyl]tetrazol-2-yl]pentanoic acid
CID 70304124
benzyl N-(4-imidazol-1-ylphenoxy)sulfonylcarbamate
CID 10474485

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-imidazol-1-ylphenyl)tetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid;hydrochloride?
The IUPAC name of 5-[5-(4-imidazol-1-ylphenyl)tetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid;hydrochloride (CID 70089529) is 5-[5-(4-imidazol-1-ylphenyl)tetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid;hydrochloride.
What is the SMILES notation for 5-[5-(4-imidazol-1-ylphenyl)tetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid;hydrochloride?
The canonical SMILES for 5-[5-(4-imidazol-1-ylphenyl)tetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid;hydrochloride is Cl.O=C(O)CC(NC(=O)OCc1ccccc1)C(=O)Cn1nnc(-c2ccc(-n3ccnc3)cc2)n1.
What is the InChIKey of 5-[5-(4-imidazol-1-ylphenyl)tetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid;hydrochloride?
The InChIKey is LJHCRVBXAKWJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O5.ClH/c31-20(19(12-21(32)33)25-23(34)35-14-16-4-2-1-3-5-16)13-30-27-22(26-28-30)17-6-8-18(9-7-17)29-11-10-24-15-29;/h1-11,15,19H,12-14H2,(H,25,34)(H,32,33);1H.
What are the key properties of 5-[5-(4-imidazol-1-ylphenyl)tetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid;hydrochloride?
5-[5-(4-imidazol-1-ylphenyl)tetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid;hydrochloride has a molecular weight of 511.93 g/mol, XLogP of 2.29, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-imidazol-1-ylphenyl)tetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid;hydrochloride is sourced from PubChem (CID 70089529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).