N-(3,4-dihydro-1H-isochromen-6-yl)-3-imidazol-1-ylpropanamide

C15H17N3O2 — CID 166244983

IUPACN-(3,4-dihydro-1H-isochromen-6-yl)-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)Nc1ccc2c(c1)CCOC2
InChIInChI=1S/C15H17N3O2/c19-15(3-6-18-7-5-16-11-18)17-14-2-1-13-10-20-8-4-12(13)9-14/h1-2,5,7,9,11H,3-4,6,8,10H2,(H,17,19)
InChIKeyDHAZRFUKBYLUGV-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.98
Rot. Bonds4

About N-(3,4-dihydro-1H-isochromen-6-yl)-3-imidazol-1-ylpropanamide

N-(3,4-dihydro-1H-isochromen-6-yl)-3-imidazol-1-ylpropanamide (PubChem CID 166244983) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-6-yl)-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-6-yl)-3-imidazol-1-ylpropanamide
PubChem CID166244983
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(3,4-dihydro-1H-isochromen-6-yl)-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)Nc1ccc2c(c1)CCOC2
InChIInChI=1S/C15H17N3O2/c19-15(3-6-18-7-5-16-11-18)17-14-2-1-13-10-20-8-4-12(13)9-14/h1-2,5,7,9,11H,3-4,6,8,10H2,(H,17,19)
InChIKeyDHAZRFUKBYLUGV-UHFFFAOYSA-N
XLogP1.98
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 72907827
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N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide
CID 16791927
N-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide
CID 103789490
3-imidazol-1-yl-N-(4-sulfamoylphenyl)propanamide
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N-(3,4-dimethoxyphenyl)-5-imidazol-1-ylpentanamide
CID 11558534
N-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 51124263
3-[3-(3-imidazol-1-ylpropanoylamino)phenyl]prop-2-enoic acid
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1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]urea
CID 125167700
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-imidazol-1-ylpropanamide
CID 61013976
N-(4-chloro-2-pyridinyl)-3-imidazol-1-ylpropanamide
CID 115627274
N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 47068944

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-6-yl)-3-imidazol-1-ylpropanamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-6-yl)-3-imidazol-1-ylpropanamide (CID 166244983) is N-(3,4-dihydro-1H-isochromen-6-yl)-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-6-yl)-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-6-yl)-3-imidazol-1-ylpropanamide is O=C(CCn1ccnc1)Nc1ccc2c(c1)CCOC2.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-6-yl)-3-imidazol-1-ylpropanamide?
The InChIKey is DHAZRFUKBYLUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(3-6-18-7-5-16-11-18)17-14-2-1-13-10-20-8-4-12(13)9-14/h1-2,5,7,9,11H,3-4,6,8,10H2,(H,17,19).
What are the key properties of N-(3,4-dihydro-1H-isochromen-6-yl)-3-imidazol-1-ylpropanamide?
N-(3,4-dihydro-1H-isochromen-6-yl)-3-imidazol-1-ylpropanamide has a molecular weight of 271.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-6-yl)-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 166244983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).