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

C19H18N4O — CID 60576964

IUPACN-[(2-imidazol-1-ylphenyl)methyl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(NCc1ccccc1-n1ccnc1)N1CCc2ccccc21
InChIInChI=1S/C19H18N4O/c24-19(23-11-9-15-5-1-4-8-18(15)23)21-13-16-6-2-3-7-17(16)22-12-10-20-14-22/h1-8,10,12,14H,9,11,13H2,(H,21,24)
InChIKeyXPRQANYCYHUJPM-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.14
Rot. Bonds3

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

N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 60576964) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]-2,3-dihydroindole-1-carboxamide
PubChem CID60576964
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(NCc1ccccc1-n1ccnc1)N1CCc2ccccc21
InChIInChI=1S/C19H18N4O/c24-19(23-11-9-15-5-1-4-8-18(15)23)21-13-16-6-2-3-7-17(16)22-12-10-20-14-22/h1-8,10,12,14H,9,11,13H2,(H,21,24)
InChIKeyXPRQANYCYHUJPM-UHFFFAOYSA-N
XLogP3.14
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94658479
N-[(2-imidazol-1-ylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 60580723
1-[(2-imidazol-1-ylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 60580591
2-(4-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92680055
N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 131924662
N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide
CID 84595607
N-[(2-imidazol-1-ylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 72922564
2,3-dihydroindol-1-yl-(4-imidazol-1-yl-3-nitrophenyl)methanone
CID 7996631
N-(naphthalen-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69223792
2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 46771389
N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide
CID 92680048
N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 136578895

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dihydroindole-1-carboxamide (CID 60576964) is N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dihydroindole-1-carboxamide is O=C(NCc1ccccc1-n1ccnc1)N1CCc2ccccc21.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is XPRQANYCYHUJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c24-19(23-11-9-15-5-1-4-8-18(15)23)21-13-16-6-2-3-7-17(16)22-12-10-20-14-22/h1-8,10,12,14H,9,11,13H2,(H,21,24).
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dihydroindole-1-carboxamide?
N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 60576964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).