N-[(2-chlorophenyl)methyl]-1H-imidazole-5-carboxamide

C11H10ClN3O — CID 110684269

IUPACN-[(2-chlorophenyl)methyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cnc[nH]1
InChIInChI=1S/C11H10ClN3O/c12-9-4-2-1-3-8(9)5-14-11(16)10-6-13-7-15-10/h1-4,6-7H,5H2,(H,13,15)(H,14,16)
InChIKeyQRIXDZZJLJFXTO-UHFFFAOYSA-N
MW235.67 g/mol
LogP1.99
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-1H-imidazole-5-carboxamide

N-[(2-chlorophenyl)methyl]-1H-imidazole-5-carboxamide (PubChem CID 110684269) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1H-imidazole-5-carboxamide
PubChem CID110684269
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC NameN-[(2-chlorophenyl)methyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cnc[nH]1
InChIInChI=1S/C11H10ClN3O/c12-9-4-2-1-3-8(9)5-14-11(16)10-6-13-7-15-10/h1-4,6-7H,5H2,(H,13,15)(H,14,16)
InChIKeyQRIXDZZJLJFXTO-UHFFFAOYSA-N
XLogP1.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 110851434
N-[(3,4-dichlorophenyl)methyl]-1H-imidazole-5-carboxamide
CID 141124421
N-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698237
N-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 110600760
N-[(2-chlorophenyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832010
N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 17471917
N-[(2-chlorophenyl)methyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105067967
N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81234516
N-[(2-chlorophenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide
CID 110690809
5-amino-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 113381834
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2726855

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1H-imidazole-5-carboxamide (CID 110684269) is N-[(2-chlorophenyl)methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1H-imidazole-5-carboxamide is O=C(NCc1ccccc1Cl)c1cnc[nH]1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1H-imidazole-5-carboxamide?
The InChIKey is QRIXDZZJLJFXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-9-4-2-1-3-8(9)5-14-11(16)10-6-13-7-15-10/h1-4,6-7H,5H2,(H,13,15)(H,14,16).
What are the key properties of N-[(2-chlorophenyl)methyl]-1H-imidazole-5-carboxamide?
N-[(2-chlorophenyl)methyl]-1H-imidazole-5-carboxamide has a molecular weight of 235.67 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 110684269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).