N-(3-imidazol-1-ylphenyl)-5-methyl-2,3-dihydroindole-1-carboxamide

C19H18N4O — CID 139820772

IUPACN-(3-imidazol-1-ylphenyl)-5-methyl-2,3-dihydroindole-1-carboxamide
SMILESCc1ccc2c(c1)CCN2C(=O)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C19H18N4O/c1-14-5-6-18-15(11-14)7-9-23(18)19(24)21-16-3-2-4-17(12-16)22-10-8-20-13-22/h2-6,8,10-13H,7,9H2,1H3,(H,21,24)
InChIKeyYTJGIHAQMCIPRI-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.78
Rot. Bonds2

About N-(3-imidazol-1-ylphenyl)-5-methyl-2,3-dihydroindole-1-carboxamide

N-(3-imidazol-1-ylphenyl)-5-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 139820772) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(3-imidazol-1-ylphenyl)-5-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylphenyl)-5-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID139820772
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-(3-imidazol-1-ylphenyl)-5-methyl-2,3-dihydroindole-1-carboxamide
SMILESCc1ccc2c(c1)CCN2C(=O)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C19H18N4O/c1-14-5-6-18-15(11-14)7-9-23(18)19(24)21-16-3-2-4-17(12-16)22-10-8-20-13-22/h2-6,8,10-13H,7,9H2,1H3,(H,21,24)
InChIKeyYTJGIHAQMCIPRI-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide
CID 162489929
N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide
CID 47215374
N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide
CID 47215494
2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide
CID 43701216
5-hydroxy-N-(3-methylphenyl)-2,3-dihydroindole-1-carboxamide;5-hydroxy-N-(3-methylphenyl)indole-1-carboxamide
CID 157422187
6-iodo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
CID 10595858
2-amino-2-cyclopropyl-N-(3-imidazol-1-ylphenyl)propanamide
CID 60868425
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3-imidazol-1-ylphenyl)acetamide
CID 51118112
N-(3,4-dimethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6470011
3-(ethylamino)-N-(3-imidazol-1-ylphenyl)propanamide
CID 55121130
6-methyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 170101789
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea
CID 18101699

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylphenyl)-5-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylphenyl)-5-methyl-2,3-dihydroindole-1-carboxamide (CID 139820772) is N-(3-imidazol-1-ylphenyl)-5-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylphenyl)-5-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylphenyl)-5-methyl-2,3-dihydroindole-1-carboxamide is Cc1ccc2c(c1)CCN2C(=O)Nc1cccc(-n2ccnc2)c1.
What is the InChIKey of N-(3-imidazol-1-ylphenyl)-5-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is YTJGIHAQMCIPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-14-5-6-18-15(11-14)7-9-23(18)19(24)21-16-3-2-4-17(12-16)22-10-8-20-13-22/h2-6,8,10-13H,7,9H2,1H3,(H,21,24).
What are the key properties of N-(3-imidazol-1-ylphenyl)-5-methyl-2,3-dihydroindole-1-carboxamide?
N-(3-imidazol-1-ylphenyl)-5-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylphenyl)-5-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 139820772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).