7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxamide

C14H13N3O — CID 3021567

IUPAC7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxamide
SMILESNC(=O)c1ccc2c(c1)C=C(n1ccnc1)CC2
InChIInChI=1S/C14H13N3O/c15-14(18)11-2-1-10-3-4-13(8-12(10)7-11)17-6-5-16-9-17/h1-2,5-9H,3-4H2,(H2,15,18)
InChIKeyWDHWKRIHZFKPAB-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.93
Rot. Bonds2

About 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxamide

7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxamide (PubChem CID 3021567) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxamide
PubChem CID3021567
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxamide
SMILESNC(=O)c1ccc2c(c1)C=C(n1ccnc1)CC2
InChIInChI=1S/C14H13N3O/c15-14(18)11-2-1-10-3-4-13(8-12(10)7-11)17-6-5-16-9-17/h1-2,5-9H,3-4H2,(H2,15,18)
InChIKeyWDHWKRIHZFKPAB-UHFFFAOYSA-N
XLogP1.93
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxamide?
The IUPAC name of 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxamide (CID 3021567) is 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxamide.
What is the SMILES notation for 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxamide?
The canonical SMILES for 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxamide is NC(=O)c1ccc2c(c1)C=C(n1ccnc1)CC2.
What is the InChIKey of 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxamide?
The InChIKey is WDHWKRIHZFKPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-14(18)11-2-1-10-3-4-13(8-12(10)7-11)17-6-5-16-9-17/h1-2,5-9H,3-4H2,(H2,15,18).
What are the key properties of 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxamide?
7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxamide has a molecular weight of 239.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxamide is sourced from PubChem (CID 3021567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).