N-(4,5-dicyano-1H-imidazol-2-yl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide

C16H13N5O2 — CID 99204892

IUPACN-(4,5-dicyano-1H-imidazol-2-yl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide
SMILESN#Cc1nc(NC(=O)C[C@H]2OCCc3ccccc32)[nH]c1C#N
InChIInChI=1S/C16H13N5O2/c17-8-12-13(9-18)20-16(19-12)21-15(22)7-14-11-4-2-1-3-10(11)5-6-23-14/h1-4,14H,5-7H2,(H2,19,20,21,22)/t14-/m1/s1
InChIKeyWNTFAYRIWPTLRZ-CQSZACIVSA-N
MW307.31 g/mol
LogP1.80
Rot. Bonds3

About N-(4,5-dicyano-1H-imidazol-2-yl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide

N-(4,5-dicyano-1H-imidazol-2-yl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide (PubChem CID 99204892) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(4,5-dicyano-1H-imidazol-2-yl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide.

Molecular Properties

Compound NameN-(4,5-dicyano-1H-imidazol-2-yl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide
PubChem CID99204892
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC NameN-(4,5-dicyano-1H-imidazol-2-yl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide
SMILESN#Cc1nc(NC(=O)C[C@H]2OCCc3ccccc32)[nH]c1C#N
InChIInChI=1S/C16H13N5O2/c17-8-12-13(9-18)20-16(19-12)21-15(22)7-14-11-4-2-1-3-10(11)5-6-23-14/h1-4,14H,5-7H2,(H2,19,20,21,22)/t14-/m1/s1
InChIKeyWNTFAYRIWPTLRZ-CQSZACIVSA-N
XLogP1.80
TPSA114.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4,5-dicyano-1H-imidazol-2-yl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide
CID 124563433
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide
CID 124563434
methyl 2-[6-[[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]amino]-2-pyridinyl]acetate
CID 129400445
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride
CID 119458979
N-(2-benzylphenyl)-2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]acetamide
CID 97082587
2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-(6-methyl-5-nitro-2-pyridinyl)acetamide
CID 97066159
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 99107193
2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 124563133
N-(3-aminopropyl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 119408439
5-[[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 119255126
methyl 4-[[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]amino]-3-hydroxybenzoate
CID 75392069
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2-methylcyclopropyl)ethanone
CID 65421680

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dicyano-1H-imidazol-2-yl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide?
The IUPAC name of N-(4,5-dicyano-1H-imidazol-2-yl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide (CID 99204892) is N-(4,5-dicyano-1H-imidazol-2-yl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide.
What is the SMILES notation for N-(4,5-dicyano-1H-imidazol-2-yl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide?
The canonical SMILES for N-(4,5-dicyano-1H-imidazol-2-yl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide is N#Cc1nc(NC(=O)C[C@H]2OCCc3ccccc32)[nH]c1C#N.
What is the InChIKey of N-(4,5-dicyano-1H-imidazol-2-yl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide?
The InChIKey is WNTFAYRIWPTLRZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H13N5O2/c17-8-12-13(9-18)20-16(19-12)21-15(22)7-14-11-4-2-1-3-10(11)5-6-23-14/h1-4,14H,5-7H2,(H2,19,20,21,22)/t14-/m1/s1.
What are the key properties of N-(4,5-dicyano-1H-imidazol-2-yl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide?
N-(4,5-dicyano-1H-imidazol-2-yl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide has a molecular weight of 307.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dicyano-1H-imidazol-2-yl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide is sourced from PubChem (CID 99204892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).