2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide

C20H19N3O2 — CID 124563434

IUPAC2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide
SMILESO=C(C[C@@H]1OCCc2ccccc21)Nc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C20H19N3O2/c24-19(13-18-17-4-2-1-3-14(17)9-12-25-18)23-16-7-5-15(6-8-16)20-21-10-11-22-20/h1-8,10-11,18H,9,12-13H2,(H,21,22)(H,23,24)/t18-/m0/s1
InChIKeyJBCYNVDHTKTFIV-SFHVURJKSA-N
MW333.39 g/mol
LogP3.72
Rot. Bonds4

About 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide

2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide (PubChem CID 124563434) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide
PubChem CID124563434
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide
SMILESO=C(C[C@@H]1OCCc2ccccc21)Nc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C20H19N3O2/c24-19(13-18-17-4-2-1-3-14(17)9-12-25-18)23-16-7-5-15(6-8-16)20-21-10-11-22-20/h1-8,10-11,18H,9,12-13H2,(H,21,22)(H,23,24)/t18-/m0/s1
InChIKeyJBCYNVDHTKTFIV-SFHVURJKSA-N
XLogP3.72
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide
CID 124563433
5-[[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 119255126
2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 124563133
N-(4,5-dicyano-1H-imidazol-2-yl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide
CID 99204892
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(3-fluorophenyl)-3-pyridinyl]acetamide
CID 99818724
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetamide
CID 3220568
N-(2-benzylphenyl)-2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]acetamide
CID 97082587
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride
CID 119458979
N-[4-(1H-imidazol-2-yl)phenyl]-3-methylbutanamide
CID 60613262
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-cyclopropyl-2-[[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]amino]acetic acid
CID 119213291
2-(3,4-dihydro-1H-isochromen-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]acetamide
CID 75394584

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide (CID 124563434) is 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide is O=C(C[C@@H]1OCCc2ccccc21)Nc1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide?
The InChIKey is JBCYNVDHTKTFIV-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-19(13-18-17-4-2-1-3-14(17)9-12-25-18)23-16-7-5-15(6-8-16)20-21-10-11-22-20/h1-8,10-11,18H,9,12-13H2,(H,21,22)(H,23,24)/t18-/m0/s1.
What are the key properties of 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide?
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide has a molecular weight of 333.39 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 124563434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).