N-naphthalen-2-yl-4,5-dihydro-1H-imidazole-2-carboxamide

C14H13N3O — CID 91901954

IUPACN-naphthalen-2-yl-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)C1=NCCN1
InChIInChI=1S/C14H13N3O/c18-14(13-15-7-8-16-13)17-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2,(H,15,16)(H,17,18)
InChIKeySHXCMVJTWAOJAZ-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.78
Rot. Bonds2

About N-naphthalen-2-yl-4,5-dihydro-1H-imidazole-2-carboxamide

N-naphthalen-2-yl-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 91901954) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is N-naphthalen-2-yl-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID91901954
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC NameN-naphthalen-2-yl-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)C1=NCCN1
InChIInChI=1S/C14H13N3O/c18-14(13-15-7-8-16-13)17-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2,(H,15,16)(H,17,18)
InChIKeySHXCMVJTWAOJAZ-UHFFFAOYSA-N
XLogP1.78
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of N-naphthalen-2-yl-4,5-dihydro-1H-imidazole-2-carboxamide (CID 91901954) is N-naphthalen-2-yl-4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-naphthalen-2-yl-4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for N-naphthalen-2-yl-4,5-dihydro-1H-imidazole-2-carboxamide is O=C(Nc1ccc2ccccc2c1)C1=NCCN1.
What is the InChIKey of N-naphthalen-2-yl-4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is SHXCMVJTWAOJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c18-14(13-15-7-8-16-13)17-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2,(H,15,16)(H,17,18).
What are the key properties of N-naphthalen-2-yl-4,5-dihydro-1H-imidazole-2-carboxamide?
N-naphthalen-2-yl-4,5-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 239.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 91901954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).