2-methyl-N-naphthalen-2-yl-1H-imidazole-5-carboxamide

C15H13N3O — CID 110467556

IUPAC2-methyl-N-naphthalen-2-yl-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C15H13N3O/c1-10-16-9-14(17-10)15(19)18-13-7-6-11-4-2-3-5-12(11)8-13/h2-9H,1H3,(H,16,17)(H,18,19)
InChIKeyCVQHSWWBVLHNBV-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.12
Rot. Bonds2

About 2-methyl-N-naphthalen-2-yl-1H-imidazole-5-carboxamide

2-methyl-N-naphthalen-2-yl-1H-imidazole-5-carboxamide (PubChem CID 110467556) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-methyl-N-naphthalen-2-yl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-naphthalen-2-yl-1H-imidazole-5-carboxamide
PubChem CID110467556
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-methyl-N-naphthalen-2-yl-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C15H13N3O/c1-10-16-9-14(17-10)15(19)18-13-7-6-11-4-2-3-5-12(11)8-13/h2-9H,1H3,(H,16,17)(H,18,19)
InChIKeyCVQHSWWBVLHNBV-UHFFFAOYSA-N
XLogP3.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-methyl-N-phenyl-1H-imidazole-5-carboxamide;prop-1-ene
CID 145236720
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N-(3H-benzimidazol-5-yl)-2-methyl-1H-imidazole-5-carboxamide
CID 110467519
2-methyl-N-(3-pyrimidin-5-ylphenyl)-1H-imidazole-5-carboxamide
CID 110467649
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N-naphthalen-2-yl-6-oxo-1H-pyridine-2-carboxamide
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N-[(1S)-1-(3-benzamidophenyl)ethyl]-2-methyl-1H-imidazole-5-carboxamide
CID 95979650
N-naphthalen-2-yl-6-[5-(naphthalen-2-ylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 170421565
7-chloro-N-naphthalen-2-yl-1H-indole-2-carboxamide
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N-naphthalen-2-ylpyrimidine-4-carboxamide
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5-tert-butyl-2-(naphthalen-2-ylcarbamoyl)pyridine-3-carboxylic acid
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CID 1228216

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-naphthalen-2-yl-1H-imidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-naphthalen-2-yl-1H-imidazole-5-carboxamide (CID 110467556) is 2-methyl-N-naphthalen-2-yl-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-naphthalen-2-yl-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-naphthalen-2-yl-1H-imidazole-5-carboxamide is Cc1ncc(C(=O)Nc2ccc3ccccc3c2)[nH]1.
What is the InChIKey of 2-methyl-N-naphthalen-2-yl-1H-imidazole-5-carboxamide?
The InChIKey is CVQHSWWBVLHNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-16-9-14(17-10)15(19)18-13-7-6-11-4-2-3-5-12(11)8-13/h2-9H,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-N-naphthalen-2-yl-1H-imidazole-5-carboxamide?
2-methyl-N-naphthalen-2-yl-1H-imidazole-5-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-naphthalen-2-yl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 110467556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).