(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1H-indolizin-5-one

C24H18ClN7O — CID 118106087

IUPAC(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1H-indolizin-5-one
SMILESO=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1[C@H](c1ncc(-c3ccccc3)[nH]1)CC2
InChIInChI=1S/C24H18ClN7O/c25-17-6-8-21(31-14-27-29-30-31)19(12-17)16-10-18-7-9-22(32(18)23(33)11-16)24-26-13-20(28-24)15-4-2-1-3-5-15/h1-6,8,10-14,22H,7,9H2,(H,26,28)/t22-/m0/s1
InChIKeyVZAHWJNCCVRFLJ-QFIPXVFZSA-N
MW455.91 g/mol
LogP4.07
Rot. Bonds4

About (3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1H-indolizin-5-one

(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1H-indolizin-5-one (PubChem CID 118106087) has the molecular formula C24H18ClN7O and a molecular weight of 455.91 g/mol. Its IUPAC name is (3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Name(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1H-indolizin-5-one
PubChem CID118106087
Molecular FormulaC24H18ClN7O
Molecular Weight455.91 g/mol
Exact Mass455.13
IUPAC Name(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1H-indolizin-5-one
SMILESO=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1[C@H](c1ncc(-c3ccccc3)[nH]1)CC2
InChIInChI=1S/C24H18ClN7O/c25-17-6-8-21(31-14-27-29-30-31)19(12-17)16-10-18-7-9-22(32(18)23(33)11-16)24-26-13-20(28-24)15-4-2-1-3-5-15/h1-6,8,10-14,22H,7,9H2,(H,26,28)/t22-/m0/s1
InChIKeyVZAHWJNCCVRFLJ-QFIPXVFZSA-N
XLogP4.07
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.91
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-3-[5-(4-acetylphenyl)-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-indolizin-5-one
CID 118106755
[2-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]-methylcarbamic acid
CID 118105912
5-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]furan-2-carboxamide
CID 118106625
ethyl N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]carbamate
CID 71616342
[4-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3-fluorophenyl]-methylcarbamic acid
CID 118106292
methyl 4-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]thiophene-2-carboxylate
CID 134314761
oxetan-3-yl N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]carbamate
CID 71616796
[5-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]thiophen-2-yl] acetate
CID 146234362
tert-butyl-[6-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3-pyridinyl]carbamic acid
CID 118106270
[(2S)-2-methoxypropyl] N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]carbamate
CID 140675095
2-(2-methoxyethoxy)ethyl N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]carbamate
CID 71617378
(2,2,2-trifluoroacetyl) 2-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-1,3-thiazole-5-carboxylate
CID 118105910

Frequently Asked Questions

What is the IUPAC name of (3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of (3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1H-indolizin-5-one (CID 118106087) is (3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for (3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for (3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1H-indolizin-5-one is O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1[C@H](c1ncc(-c3ccccc3)[nH]1)CC2.
What is the InChIKey of (3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is VZAHWJNCCVRFLJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H18ClN7O/c25-17-6-8-21(31-14-27-29-30-31)19(12-17)16-10-18-7-9-22(32(18)23(33)11-16)24-26-13-20(28-24)15-4-2-1-3-5-15/h1-6,8,10-14,22H,7,9H2,(H,26,28)/t22-/m0/s1.
What are the key properties of (3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1H-indolizin-5-one?
(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 455.91 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 118106087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).