N-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide

C15H14N6O2 — CID 690741

IUPACN-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide
SMILESCc1ccc(NC(=O)n2ccnc2)cc1NC(=O)n1ccnc1
InChIInChI=1S/C15H14N6O2/c1-11-2-3-12(18-14(22)20-6-4-16-9-20)8-13(11)19-15(23)21-7-5-17-10-21/h2-10H,1H3,(H,18,22)(H,19,23)
InChIKeyBUTLOMSOUDUJNF-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.55
Rot. Bonds2

About N-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide

N-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide (PubChem CID 690741) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is N-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide
PubChem CID690741
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC NameN-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide
SMILESCc1ccc(NC(=O)n2ccnc2)cc1NC(=O)n1ccnc1
InChIInChI=1S/C15H14N6O2/c1-11-2-3-12(18-14(22)20-6-4-16-9-20)8-13(11)19-15(23)21-7-5-17-10-21/h2-10H,1H3,(H,18,22)(H,19,23)
InChIKeyBUTLOMSOUDUJNF-UHFFFAOYSA-N
XLogP2.55
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-bromo-4-methylphenyl)imidazole-1-carboxamide
CID 81270282
N-(4-chloro-2-methylphenyl)imidazole-1-carboxamide
CID 79020132
N-(5-acetamido-2-methoxyphenyl)imidazole-1-carboxamide
CID 81258005
N-(3-acetylphenyl)imidazole-1-carboxamide
CID 81258078
N-[2-chloro-5-(propanoylamino)phenyl]imidazole-1-carboxamide
CID 81257482
N-(5-methyl-3-pyridinyl)imidazole-1-carboxamide
CID 107586878
N-[4-(dimethylamino)phenyl]imidazole-1-carboxamide
CID 81257453
N-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide
CID 81257589
N-(2-methoxy-4-methylphenyl)imidazole-1-carboxamide
CID 81257037
N-(3,5-dichlorophenyl)imidazole-1-carboxamide
CID 81257838
N-(4-chloro-2-methoxyphenyl)imidazole-1-carboxamide
CID 3468883
N-(2-cyano-3-methylphenyl)imidazole-1-carboxamide
CID 107801614

Frequently Asked Questions

What is the IUPAC name of N-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide?
The IUPAC name of N-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide (CID 690741) is N-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide?
The canonical SMILES for N-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide is Cc1ccc(NC(=O)n2ccnc2)cc1NC(=O)n1ccnc1.
What is the InChIKey of N-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide?
The InChIKey is BUTLOMSOUDUJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2/c1-11-2-3-12(18-14(22)20-6-4-16-9-20)8-13(11)19-15(23)21-7-5-17-10-21/h2-10H,1H3,(H,18,22)(H,19,23).
What are the key properties of N-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide?
N-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide has a molecular weight of 310.32 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide is sourced from PubChem (CID 690741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).