N-[3-(1-methylimidazol-2-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide

C19H18N4O — CID 84584319

IUPACN-[3-(1-methylimidazol-2-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide
SMILESCn1ccnc1-c1cccc(NC(=O)N2Cc3ccccc3C2)c1
InChIInChI=1S/C19H18N4O/c1-22-10-9-20-18(22)14-7-4-8-17(11-14)21-19(24)23-12-15-5-2-3-6-16(15)13-23/h2-11H,12-13H2,1H3,(H,21,24)
InChIKeyJXJDLKPTISPITI-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.63
Rot. Bonds2

About N-[3-(1-methylimidazol-2-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide

N-[3-(1-methylimidazol-2-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide (PubChem CID 84584319) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[3-(1-methylimidazol-2-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methylimidazol-2-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide
PubChem CID84584319
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-[3-(1-methylimidazol-2-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide
SMILESCn1ccnc1-c1cccc(NC(=O)N2Cc3ccccc3C2)c1
InChIInChI=1S/C19H18N4O/c1-22-10-9-20-18(22)14-7-4-8-17(11-14)21-19(24)23-12-15-5-2-3-6-16(15)13-23/h2-11H,12-13H2,1H3,(H,21,24)
InChIKeyJXJDLKPTISPITI-UHFFFAOYSA-N
XLogP3.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 119856062
N-[3-(1-methylimidazol-2-yl)phenyl]furan-2-carboxamide
CID 136578540
4-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide
CID 119856092
3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride
CID 119856083
1-(2-hydroxyethyl)-1-methyl-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111453463
4-(1,3-dithian-2-yl)-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide
CID 87008562
5-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 60557129
1-cyclopropyl-1-(2-hydroxyethyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111435009
1-(4-tert-butylphenyl)-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopropane-1-carboxamide
CID 71938322
N-[3-(1-methylimidazol-2-yl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 136523152
N-[3-(1-methylimidazol-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939586
N-[3-(1-methylimidazol-2-yl)phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 136578744

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylimidazol-2-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-[3-(1-methylimidazol-2-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide (CID 84584319) is N-[3-(1-methylimidazol-2-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-[3-(1-methylimidazol-2-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-[3-(1-methylimidazol-2-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide is Cn1ccnc1-c1cccc(NC(=O)N2Cc3ccccc3C2)c1.
What is the InChIKey of N-[3-(1-methylimidazol-2-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is JXJDLKPTISPITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-22-10-9-20-18(22)14-7-4-8-17(11-14)21-19(24)23-12-15-5-2-3-6-16(15)13-23/h2-11H,12-13H2,1H3,(H,21,24).
What are the key properties of N-[3-(1-methylimidazol-2-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide?
N-[3-(1-methylimidazol-2-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylimidazol-2-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 84584319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).