5-[1-(4-chlorophenyl)-5-ethenyl-4-[(Z)-prop-1-enyl]imidazol-2-yl]-N-cyclopropylpyridine-2-carboxamide

C23H21ClN4O — CID 145325592

IUPAC5-[1-(4-chlorophenyl)-5-ethenyl-4-[(Z)-prop-1-enyl]imidazol-2-yl]-N-cyclopropylpyridine-2-carboxamide
SMILESC=Cc1c(/C=C\C)nc(-c2ccc(C(=O)NC3CC3)nc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN4O/c1-3-5-19-21(4-2)28(18-11-7-16(24)8-12-18)22(27-19)15-6-13-20(25-14-15)23(29)26-17-9-10-17/h3-8,11-14,17H,2,9-10H2,1H3,(H,26,29)/b5-3-
InChIKeyVRRGJIWBWHPFSX-HYXAFXHYSA-N
MW404.90 g/mol
LogP5.16
Rot. Bonds6

About 5-[1-(4-chlorophenyl)-5-ethenyl-4-[(Z)-prop-1-enyl]imidazol-2-yl]-N-cyclopropylpyridine-2-carboxamide

5-[1-(4-chlorophenyl)-5-ethenyl-4-[(Z)-prop-1-enyl]imidazol-2-yl]-N-cyclopropylpyridine-2-carboxamide (PubChem CID 145325592) has the molecular formula C23H21ClN4O and a molecular weight of 404.90 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)-5-ethenyl-4-[(Z)-prop-1-enyl]imidazol-2-yl]-N-cyclopropylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)-5-ethenyl-4-[(Z)-prop-1-enyl]imidazol-2-yl]-N-cyclopropylpyridine-2-carboxamide
PubChem CID145325592
Molecular FormulaC23H21ClN4O
Molecular Weight404.90 g/mol
Exact Mass404.14
IUPAC Name5-[1-(4-chlorophenyl)-5-ethenyl-4-[(Z)-prop-1-enyl]imidazol-2-yl]-N-cyclopropylpyridine-2-carboxamide
SMILESC=Cc1c(/C=C\C)nc(-c2ccc(C(=O)NC3CC3)nc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN4O/c1-3-5-19-21(4-2)28(18-11-7-16(24)8-12-18)22(27-19)15-6-13-20(25-14-15)23(29)26-17-9-10-17/h3-8,11-14,17H,2,9-10H2,1H3,(H,26,29)/b5-3-
InChIKeyVRRGJIWBWHPFSX-HYXAFXHYSA-N
XLogP5.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)-5-ethenyl-4-[(Z)-prop-1-enyl]imidazol-2-yl]-N-cyclopropylpyridine-2-carboxamide?
The IUPAC name of 5-[1-(4-chlorophenyl)-5-ethenyl-4-[(Z)-prop-1-enyl]imidazol-2-yl]-N-cyclopropylpyridine-2-carboxamide (CID 145325592) is 5-[1-(4-chlorophenyl)-5-ethenyl-4-[(Z)-prop-1-enyl]imidazol-2-yl]-N-cyclopropylpyridine-2-carboxamide.
What is the SMILES notation for 5-[1-(4-chlorophenyl)-5-ethenyl-4-[(Z)-prop-1-enyl]imidazol-2-yl]-N-cyclopropylpyridine-2-carboxamide?
The canonical SMILES for 5-[1-(4-chlorophenyl)-5-ethenyl-4-[(Z)-prop-1-enyl]imidazol-2-yl]-N-cyclopropylpyridine-2-carboxamide is C=Cc1c(/C=C\C)nc(-c2ccc(C(=O)NC3CC3)nc2)n1-c1ccc(Cl)cc1.
What is the InChIKey of 5-[1-(4-chlorophenyl)-5-ethenyl-4-[(Z)-prop-1-enyl]imidazol-2-yl]-N-cyclopropylpyridine-2-carboxamide?
The InChIKey is VRRGJIWBWHPFSX-HYXAFXHYSA-N. The full InChI is InChI=1S/C23H21ClN4O/c1-3-5-19-21(4-2)28(18-11-7-16(24)8-12-18)22(27-19)15-6-13-20(25-14-15)23(29)26-17-9-10-17/h3-8,11-14,17H,2,9-10H2,1H3,(H,26,29)/b5-3-.
What are the key properties of 5-[1-(4-chlorophenyl)-5-ethenyl-4-[(Z)-prop-1-enyl]imidazol-2-yl]-N-cyclopropylpyridine-2-carboxamide?
5-[1-(4-chlorophenyl)-5-ethenyl-4-[(Z)-prop-1-enyl]imidazol-2-yl]-N-cyclopropylpyridine-2-carboxamide has a molecular weight of 404.90 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)-5-ethenyl-4-[(Z)-prop-1-enyl]imidazol-2-yl]-N-cyclopropylpyridine-2-carboxamide is sourced from PubChem (CID 145325592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).