N-cyclopropyl-4-methyl-3-(1-pyridin-3-ylimidazol-4-yl)benzamide

C19H18N4O — CID 134325349

IUPACN-cyclopropyl-4-methyl-3-(1-pyridin-3-ylimidazol-4-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cn(-c2cccnc2)cn1
InChIInChI=1S/C19H18N4O/c1-13-4-5-14(19(24)22-15-6-7-15)9-17(13)18-11-23(12-21-18)16-3-2-8-20-10-16/h2-5,8-12,15H,6-7H2,1H3,(H,22,24)
InChIKeyVSMCYUPKRTWAPH-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.13
Rot. Bonds4

About N-cyclopropyl-4-methyl-3-(1-pyridin-3-ylimidazol-4-yl)benzamide

N-cyclopropyl-4-methyl-3-(1-pyridin-3-ylimidazol-4-yl)benzamide (PubChem CID 134325349) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-(1-pyridin-3-ylimidazol-4-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-(1-pyridin-3-ylimidazol-4-yl)benzamide
PubChem CID134325349
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-cyclopropyl-4-methyl-3-(1-pyridin-3-ylimidazol-4-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cn(-c2cccnc2)cn1
InChIInChI=1S/C19H18N4O/c1-13-4-5-14(19(24)22-15-6-7-15)9-17(13)18-11-23(12-21-18)16-3-2-8-20-10-16/h2-5,8-12,15H,6-7H2,1H3,(H,22,24)
InChIKeyVSMCYUPKRTWAPH-UHFFFAOYSA-N
XLogP3.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-(1-pyridin-3-ylimidazol-4-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-(1-pyridin-3-ylimidazol-4-yl)benzamide (CID 134325349) is N-cyclopropyl-4-methyl-3-(1-pyridin-3-ylimidazol-4-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-(1-pyridin-3-ylimidazol-4-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-(1-pyridin-3-ylimidazol-4-yl)benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cn(-c2cccnc2)cn1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-(1-pyridin-3-ylimidazol-4-yl)benzamide?
The InChIKey is VSMCYUPKRTWAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13-4-5-14(19(24)22-15-6-7-15)9-17(13)18-11-23(12-21-18)16-3-2-8-20-10-16/h2-5,8-12,15H,6-7H2,1H3,(H,22,24).
What are the key properties of N-cyclopropyl-4-methyl-3-(1-pyridin-3-ylimidazol-4-yl)benzamide?
N-cyclopropyl-4-methyl-3-(1-pyridin-3-ylimidazol-4-yl)benzamide has a molecular weight of 318.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-(1-pyridin-3-ylimidazol-4-yl)benzamide is sourced from PubChem (CID 134325349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).