1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide

C14H16N4O — CID 59468734

IUPAC1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide
SMILESCNC(=O)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C14H16N4O/c1-15-14(19)11-3-2-10-4-5-18(13(10)6-11)8-12-7-16-9-17-12/h2-3,6-7,9H,4-5,8H2,1H3,(H,15,19)(H,16,17)
InChIKeyNYSNZSQJYGCSTN-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.33
Rot. Bonds3

About 1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide

1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide (PubChem CID 59468734) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide
PubChem CID59468734
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide
SMILESCNC(=O)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C14H16N4O/c1-15-14(19)11-3-2-10-4-5-18(13(10)6-11)8-12-7-16-9-17-12/h2-3,6-7,9H,4-5,8H2,1H3,(H,15,19)(H,16,17)
InChIKeyNYSNZSQJYGCSTN-UHFFFAOYSA-N
XLogP1.33
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide?
The IUPAC name of 1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide (CID 59468734) is 1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide.
What is the SMILES notation for 1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide?
The canonical SMILES for 1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide is CNC(=O)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.
What is the InChIKey of 1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide?
The InChIKey is NYSNZSQJYGCSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-15-14(19)11-3-2-10-4-5-18(13(10)6-11)8-12-7-16-9-17-12/h2-3,6-7,9H,4-5,8H2,1H3,(H,15,19)(H,16,17).
What are the key properties of 1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide?
1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 59468734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).