[4-(imidazole-1-carbonyl)naphthalen-1-yl]-imidazol-1-ylmethanone

C18H12N4O2 — CID 139070429

IUPAC[4-(imidazole-1-carbonyl)naphthalen-1-yl]-imidazol-1-ylmethanone
SMILESO=C(c1ccc(C(=O)n2ccnc2)c2ccccc12)n1ccnc1
InChIInChI=1S/C18H12N4O2/c23-17(21-9-7-19-11-21)15-5-6-16(14-4-2-1-3-13(14)15)18(24)22-10-8-20-12-22/h1-12H
InChIKeyWUIAYXGPNFWBIW-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.61
Rot. Bonds2

About [4-(imidazole-1-carbonyl)naphthalen-1-yl]-imidazol-1-ylmethanone

[4-(imidazole-1-carbonyl)naphthalen-1-yl]-imidazol-1-ylmethanone (PubChem CID 139070429) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is [4-(imidazole-1-carbonyl)naphthalen-1-yl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[4-(imidazole-1-carbonyl)naphthalen-1-yl]-imidazol-1-ylmethanone
PubChem CID139070429
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC Name[4-(imidazole-1-carbonyl)naphthalen-1-yl]-imidazol-1-ylmethanone
SMILESO=C(c1ccc(C(=O)n2ccnc2)c2ccccc12)n1ccnc1
InChIInChI=1S/C18H12N4O2/c23-17(21-9-7-19-11-21)15-5-6-16(14-4-2-1-3-13(14)15)18(24)22-10-8-20-12-22/h1-12H
InChIKeyWUIAYXGPNFWBIW-UHFFFAOYSA-N
XLogP2.61
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1H-Imidazol-1-ylphenylmethanone
CID 66319
2-(8-Imidazol-1-yl-octyl)-isoindole-1,3-dione
CID 13580028
2-(10-Imidazol-1-yl-decyl)-isoindole-1,3-dione
CID 13588977
3-(3-(1H-imidazol-1-yl)propyl)-1-(4-(methylthiomethyl)benzyl)-5-methyl-5-(naphthalen-1-yl)imidazolidine-2,4-dione
CID 22466804
4-((3-(3-(1H-imidazol-1-yl)propyl)-5-methyl-5-(naphthalen-1-yl)-2,4-dioxoimidazolidin-1-yl)methyl)benzonitrile
CID 22466836
3-((3-(3-(1H-imidazol-1-yl)propyl)-5-methyl-5-(naphthalen-1-yl)-2,4-dioxoimidazolidin-1-yl)methyl)benzonitrile
CID 22466895
N-[3-(1H-imidazol-1-yl)propyl]-3,4-dimethylbenzamide
CID 2862530
2-(2-(1H-Imidazol-1-yl)ethyl)-1H-isoindole-1,3(2H)-dione
CID 641836
Nafimidone monohydrochloride
CID 51199
2-(1H-Imidazol-1-yl)-1-(2-naphthalenyl)ethanone
CID 51200
2-(6-Imidazol-1-yl-hexyl)-isoindole-1,3-dione
CID 13580026
ethyl 2-(3-(3-(1H-imidazol-1-yl)propyl)-5-methyl-5-(naphthalen-1-yl)-2,4-dioxoimidazolidin-1-yl)acetate
CID 44409766

Frequently Asked Questions

What is the IUPAC name of [4-(imidazole-1-carbonyl)naphthalen-1-yl]-imidazol-1-ylmethanone?
The IUPAC name of [4-(imidazole-1-carbonyl)naphthalen-1-yl]-imidazol-1-ylmethanone (CID 139070429) is [4-(imidazole-1-carbonyl)naphthalen-1-yl]-imidazol-1-ylmethanone.
What is the SMILES notation for [4-(imidazole-1-carbonyl)naphthalen-1-yl]-imidazol-1-ylmethanone?
The canonical SMILES for [4-(imidazole-1-carbonyl)naphthalen-1-yl]-imidazol-1-ylmethanone is O=C(c1ccc(C(=O)n2ccnc2)c2ccccc12)n1ccnc1.
What is the InChIKey of [4-(imidazole-1-carbonyl)naphthalen-1-yl]-imidazol-1-ylmethanone?
The InChIKey is WUIAYXGPNFWBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2/c23-17(21-9-7-19-11-21)15-5-6-16(14-4-2-1-3-13(14)15)18(24)22-10-8-20-12-22/h1-12H.
What are the key properties of [4-(imidazole-1-carbonyl)naphthalen-1-yl]-imidazol-1-ylmethanone?
[4-(imidazole-1-carbonyl)naphthalen-1-yl]-imidazol-1-ylmethanone has a molecular weight of 316.32 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(imidazole-1-carbonyl)naphthalen-1-yl]-imidazol-1-ylmethanone is sourced from PubChem (CID 139070429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).