N-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazole-2-carboxamide

C11H12ClN3O — CID 4963367

IUPACN-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1=NCCN1
InChIInChI=1S/C11H12ClN3O/c1-7-2-3-8(12)6-9(7)15-11(16)10-13-4-5-14-10/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyHZKOQBPMEHWOTM-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.59
Rot. Bonds2

About N-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazole-2-carboxamide

N-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 4963367) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID4963367
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC NameN-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1=NCCN1
InChIInChI=1S/C11H12ClN3O/c1-7-2-3-8(12)6-9(7)15-11(16)10-13-4-5-14-10/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyHZKOQBPMEHWOTM-UHFFFAOYSA-N
XLogP1.59
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(5-Chloro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
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3-(5-Chloro-2-methylphenyl)-2-ethylsulfanyl-3,5-dihydroimidazol-4-one
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US11130759, Cpd. No. 2
CID 161370538

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazole-2-carboxamide (CID 4963367) is N-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazole-2-carboxamide is Cc1ccc(Cl)cc1NC(=O)C1=NCCN1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is HZKOQBPMEHWOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-7-2-3-8(12)6-9(7)15-11(16)10-13-4-5-14-10/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of N-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazole-2-carboxamide?
N-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 237.69 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 4963367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).