N-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide

C16H15N3O — CID 110440177

IUPACN-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide
SMILESCn1ccnc1CNC(=O)c1cccc2ccccc12
InChIInChI=1S/C16H15N3O/c1-19-10-9-17-15(19)11-18-16(20)14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,11H2,1H3,(H,18,20)
InChIKeyQXJPUGWUXZUGLV-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.50
Rot. Bonds3

About N-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide

N-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide (PubChem CID 110440177) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide
PubChem CID110440177
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide
SMILESCn1ccnc1CNC(=O)c1cccc2ccccc12
InChIInChI=1S/C16H15N3O/c1-19-10-9-17-15(19)11-18-16(20)14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,11H2,1H3,(H,18,20)
InChIKeyQXJPUGWUXZUGLV-UHFFFAOYSA-N
XLogP2.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168082
2-hydroxy-3-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63237643
N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)benzamide
CID 63293605
2-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoethyl]benzoic acid
CID 104601555
2-amino-3-bromo-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 110451079
3-(1-methylimidazol-2-yl)-1-naphthalen-1-ylpropan-1-one
CID 114529474
2-(dimethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 110475162
N-[(1-methylimidazol-2-yl)methyl]naphthalen-1-amine
CID 43087970
N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide
CID 110444641
4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81242142
4-fluoro-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 113304577
5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63235961

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide (CID 110440177) is N-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide is Cn1ccnc1CNC(=O)c1cccc2ccccc12.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide?
The InChIKey is QXJPUGWUXZUGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-19-10-9-17-15(19)11-18-16(20)14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,11H2,1H3,(H,18,20).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide?
N-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 110440177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).