N-[4-chloro-2-[3-(5-ethyl-1H-imidazol-2-yl)-5-oxo-2,3-dihydro-1H-indolizin-7-yl]phenyl]formamide

C20H19ClN4O2 — CID 141472782

IUPACN-[4-chloro-2-[3-(5-ethyl-1H-imidazol-2-yl)-5-oxo-2,3-dihydro-1H-indolizin-7-yl]phenyl]formamide
SMILESCCc1cnc(C2CCc3cc(-c4cc(Cl)ccc4NC=O)cc(=O)n32)[nH]1
InChIInChI=1S/C20H19ClN4O2/c1-2-14-10-22-20(24-14)18-6-4-15-7-12(8-19(27)25(15)18)16-9-13(21)3-5-17(16)23-11-26/h3,5,7-11,18H,2,4,6H2,1H3,(H,22,24)(H,23,26)
InChIKeyJQVXOTPIXRQOMV-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.56
Rot. Bonds5

About N-[4-chloro-2-[3-(5-ethyl-1H-imidazol-2-yl)-5-oxo-2,3-dihydro-1H-indolizin-7-yl]phenyl]formamide

N-[4-chloro-2-[3-(5-ethyl-1H-imidazol-2-yl)-5-oxo-2,3-dihydro-1H-indolizin-7-yl]phenyl]formamide (PubChem CID 141472782) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[4-chloro-2-[3-(5-ethyl-1H-imidazol-2-yl)-5-oxo-2,3-dihydro-1H-indolizin-7-yl]phenyl]formamide.

Molecular Properties

Compound NameN-[4-chloro-2-[3-(5-ethyl-1H-imidazol-2-yl)-5-oxo-2,3-dihydro-1H-indolizin-7-yl]phenyl]formamide
PubChem CID141472782
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-[4-chloro-2-[3-(5-ethyl-1H-imidazol-2-yl)-5-oxo-2,3-dihydro-1H-indolizin-7-yl]phenyl]formamide
SMILESCCc1cnc(C2CCc3cc(-c4cc(Cl)ccc4NC=O)cc(=O)n32)[nH]1
InChIInChI=1S/C20H19ClN4O2/c1-2-14-10-22-20(24-14)18-6-4-15-7-12(8-19(27)25(15)18)16-9-13(21)3-5-17(16)23-11-26/h3,5,7-11,18H,2,4,6H2,1H3,(H,22,24)(H,23,26)
InChIKeyJQVXOTPIXRQOMV-UHFFFAOYSA-N
XLogP3.56
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[4-chloro-2-[3-(5-ethyl-1H-imidazol-2-yl)-5-oxo-2,3-dihydro-1H-indolizin-7-yl]phenyl]formamide 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

1-(4-Chloro-phenyl)-3-[4-(1H-imidazol-4-ylmethyl)-benzyl]-urea
CID 9864493
2-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(4-chlorophenyl)acetamide
CID 44406416
6-chloro-3-(1H-imidazol-5-yl)-4-phenyl-1H-quinolin-2-one
CID 44453908
(S)-N-(1-(5-(3-chlorophenyl)-1H-imidazol-2-yl)-7-oxooctyl)-1-methylpiperidine-4-carboxamide
CID 44589558
methyl N-[(11E,14S)-14-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-16,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,11,15-hexaen-5-yl]carbamate
CID 53358697
methyl N-[(14S)-14-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-16,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]carbamate
CID 53358823
methyl N-[(14S)-14-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]carbamate
CID 53358948
methyl N-[4-[2-[(1S)-1-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenylethyl]-1H-imidazol-5-yl]phenyl]carbamate
CID 57976446
methyl N-[(12E,15S)-15-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,12,16-hexaen-5-yl]carbamate
CID 66743898
methyl N-[(12E,15S)-15-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-17,19-diazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,12,16-hexaen-5-yl]carbamate
CID 66744470
methyl N-[(15S)-15-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-17,19-diazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-5-yl]carbamate
CID 66744522
(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(12E,15S)-5-fluoro-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,12,16-hexaen-15-yl]prop-2-enamide
CID 66744663

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[3-(5-ethyl-1H-imidazol-2-yl)-5-oxo-2,3-dihydro-1H-indolizin-7-yl]phenyl]formamide?
The IUPAC name of N-[4-chloro-2-[3-(5-ethyl-1H-imidazol-2-yl)-5-oxo-2,3-dihydro-1H-indolizin-7-yl]phenyl]formamide (CID 141472782) is N-[4-chloro-2-[3-(5-ethyl-1H-imidazol-2-yl)-5-oxo-2,3-dihydro-1H-indolizin-7-yl]phenyl]formamide.
What is the SMILES notation for N-[4-chloro-2-[3-(5-ethyl-1H-imidazol-2-yl)-5-oxo-2,3-dihydro-1H-indolizin-7-yl]phenyl]formamide?
The canonical SMILES for N-[4-chloro-2-[3-(5-ethyl-1H-imidazol-2-yl)-5-oxo-2,3-dihydro-1H-indolizin-7-yl]phenyl]formamide is CCc1cnc(C2CCc3cc(-c4cc(Cl)ccc4NC=O)cc(=O)n32)[nH]1.
What is the InChIKey of N-[4-chloro-2-[3-(5-ethyl-1H-imidazol-2-yl)-5-oxo-2,3-dihydro-1H-indolizin-7-yl]phenyl]formamide?
The InChIKey is JQVXOTPIXRQOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-2-14-10-22-20(24-14)18-6-4-15-7-12(8-19(27)25(15)18)16-9-13(21)3-5-17(16)23-11-26/h3,5,7-11,18H,2,4,6H2,1H3,(H,22,24)(H,23,26).
What are the key properties of N-[4-chloro-2-[3-(5-ethyl-1H-imidazol-2-yl)-5-oxo-2,3-dihydro-1H-indolizin-7-yl]phenyl]formamide?
N-[4-chloro-2-[3-(5-ethyl-1H-imidazol-2-yl)-5-oxo-2,3-dihydro-1H-indolizin-7-yl]phenyl]formamide has a molecular weight of 382.85 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[3-(5-ethyl-1H-imidazol-2-yl)-5-oxo-2,3-dihydro-1H-indolizin-7-yl]phenyl]formamide is sourced from PubChem (CID 141472782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).