N-(1H-imidazol-2-ylmethyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide

C15H17N3O2 — CID 63928254

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1COc2ccccc2C1
InChIInChI=1S/C15H17N3O2/c1-18(9-14-16-6-7-17-14)15(19)12-8-11-4-2-3-5-13(11)20-10-12/h2-7,12H,8-10H2,1H3,(H,16,17)
InChIKeyRPKYQYSQFCIXFO-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.62
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 63928254) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID63928254
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1COc2ccccc2C1
InChIInChI=1S/C15H17N3O2/c1-18(9-14-16-6-7-17-14)15(19)12-8-11-4-2-3-5-13(11)20-10-12/h2-7,12H,8-10H2,1H3,(H,16,17)
InChIKeyRPKYQYSQFCIXFO-UHFFFAOYSA-N
XLogP1.62
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1H-imidazol-2-ylmethyl)-N-methyl-3,4-dihydro-2H-chromene-3-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 N-(1H-imidazol-2-ylmethyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide (CID 63928254) is N-(1H-imidazol-2-ylmethyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide is CN(Cc1ncc[nH]1)C(=O)C1COc2ccccc2C1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is RPKYQYSQFCIXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-18(9-14-16-6-7-17-14)15(19)12-8-11-4-2-3-5-13(11)20-10-12/h2-7,12H,8-10H2,1H3,(H,16,17).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 63928254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).