N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide

C24H22N4O — CID 47060911

IUPACN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCc1ccnc(-n2ccnc2)c1
InChIInChI=1S/C24H22N4O/c29-24(27-17-19-11-12-26-23(15-19)28-14-13-25-18-28)16-22(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-15,18,22H,16-17H2,(H,27,29)
InChIKeyZMUGDXOEXCQYFJ-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.11
Rot. Bonds7

About N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide

N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide (PubChem CID 47060911) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide
PubChem CID47060911
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC NameN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCc1ccnc(-n2ccnc2)c1
InChIInChI=1S/C24H22N4O/c29-24(27-17-19-11-12-26-23(15-19)28-14-13-25-18-28)16-22(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-15,18,22H,16-17H2,(H,27,29)
InChIKeyZMUGDXOEXCQYFJ-UHFFFAOYSA-N
XLogP4.11
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,3-diphenylpropyl)-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-methylguanidine
CID 111233727
1-benzyl-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-methylguanidine
CID 110952946
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119859956
2-(cyclopropylmethylamino)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide;dihydrochloride
CID 119859974
2-benzo[e][1]benzofuran-1-yl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide
CID 47060897
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 56816401
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenyl-1H-imidazole-5-carboxamide
CID 136526673
3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(2-methylpropyl)-1-propan-2-ylurea
CID 136527613
1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 134813239
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 136523432
3-amino-3-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119952941
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]propanamide
CID 47060882

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide (CID 47060911) is N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)NCc1ccnc(-n2ccnc2)c1.
What is the InChIKey of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide?
The InChIKey is ZMUGDXOEXCQYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c29-24(27-17-19-11-12-26-23(15-19)28-14-13-25-18-28)16-22(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-15,18,22H,16-17H2,(H,27,29).
What are the key properties of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide?
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide has a molecular weight of 382.47 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 47060911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).