N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2,5-trimethyl-1H-imidazole-4-carboxamide

C17H21N3O2 — CID 138036603

IUPACN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2,5-trimethyl-1H-imidazole-4-carboxamide
SMILESCc1nc(C(=O)N(C)CC2OCCc3ccccc32)c(C)[nH]1
InChIInChI=1S/C17H21N3O2/c1-11-16(19-12(2)18-11)17(21)20(3)10-15-14-7-5-4-6-13(14)8-9-22-15/h4-7,15H,8-10H2,1-3H3,(H,18,19)
InChIKeyQETCBDAFNUROPO-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.41
Rot. Bonds3

About N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2,5-trimethyl-1H-imidazole-4-carboxamide

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2,5-trimethyl-1H-imidazole-4-carboxamide (PubChem CID 138036603) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2,5-trimethyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2,5-trimethyl-1H-imidazole-4-carboxamide
PubChem CID138036603
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2,5-trimethyl-1H-imidazole-4-carboxamide
SMILESCc1nc(C(=O)N(C)CC2OCCc3ccccc32)c(C)[nH]1
InChIInChI=1S/C17H21N3O2/c1-11-16(19-12(2)18-11)17(21)20(3)10-15-14-7-5-4-6-13(14)8-9-22-15/h4-7,15H,8-10H2,1-3H3,(H,18,19)
InChIKeyQETCBDAFNUROPO-UHFFFAOYSA-N
XLogP2.41
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2,5-trimethyl-1H-imidazole-4-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-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2,5-trimethyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2,5-trimethyl-1H-imidazole-4-carboxamide (CID 138036603) is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2,5-trimethyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2,5-trimethyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2,5-trimethyl-1H-imidazole-4-carboxamide is Cc1nc(C(=O)N(C)CC2OCCc3ccccc32)c(C)[nH]1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2,5-trimethyl-1H-imidazole-4-carboxamide?
The InChIKey is QETCBDAFNUROPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-16(19-12(2)18-11)17(21)20(3)10-15-14-7-5-4-6-13(14)8-9-22-15/h4-7,15H,8-10H2,1-3H3,(H,18,19).
What are the key properties of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2,5-trimethyl-1H-imidazole-4-carboxamide?
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2,5-trimethyl-1H-imidazole-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2,5-trimethyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 138036603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).