N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenyl-1H-imidazole-5-carboxamide

C19H16N6O — CID 136526673

IUPACN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenyl-1H-imidazole-5-carboxamide
SMILESO=C(NCc1ccnc(-n2ccnc2)c1)c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C19H16N6O/c26-19(16-12-22-18(24-16)15-4-2-1-3-5-15)23-11-14-6-7-21-17(10-14)25-9-8-20-13-25/h1-10,12-13H,11H2,(H,22,24)(H,23,26)
InChIKeyKOSKHARJTYJSGU-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.59
Rot. Bonds5

About N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenyl-1H-imidazole-5-carboxamide

N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenyl-1H-imidazole-5-carboxamide (PubChem CID 136526673) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenyl-1H-imidazole-5-carboxamide
PubChem CID136526673
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC NameN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenyl-1H-imidazole-5-carboxamide
SMILESO=C(NCc1ccnc(-n2ccnc2)c1)c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C19H16N6O/c26-19(16-12-22-18(24-16)15-4-2-1-3-5-15)23-11-14-6-7-21-17(10-14)25-9-8-20-13-25/h1-10,12-13H,11H2,(H,22,24)(H,23,26)
InChIKeyKOSKHARJTYJSGU-UHFFFAOYSA-N
XLogP2.59
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide
CID 47060911
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 56816401
1-benzyl-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-methylguanidine
CID 110952946
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 136523432
3-(2,5-dioxopyrrolidin-1-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide
CID 167917933
4-cyclohexyl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide
CID 60526309
2-[(2-chlorophenyl)methoxy]-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide
CID 60526385
1,2-dichloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenylethenesulfonamide
CID 126816712
2-benzo[e][1]benzofuran-1-yl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide
CID 47060897
1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 134813239
1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-methyl-3-(2-phenoxyethyl)guanidine
CID 111005179
1-(3,3-diphenylpropyl)-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-methylguanidine
CID 111233727

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenyl-1H-imidazole-5-carboxamide (CID 136526673) is N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenyl-1H-imidazole-5-carboxamide is O=C(NCc1ccnc(-n2ccnc2)c1)c1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenyl-1H-imidazole-5-carboxamide?
The InChIKey is KOSKHARJTYJSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c26-19(16-12-22-18(24-16)15-4-2-1-3-5-15)23-11-14-6-7-21-17(10-14)25-9-8-20-13-25/h1-10,12-13H,11H2,(H,22,24)(H,23,26).
What are the key properties of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenyl-1H-imidazole-5-carboxamide?
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenyl-1H-imidazole-5-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 136526673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).