1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide

C20H14F3N5O — CID 156577181

IUPAC1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide
SMILESCn1c(-c2cccc3ncccc23)cnc1C(=O)Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C20H14F3N5O/c1-28-16(14-4-2-6-15-13(14)5-3-8-24-15)11-26-18(28)19(29)27-12-7-9-25-17(10-12)20(21,22)23/h2-11H,1H3,(H,25,27,29)
InChIKeyIVBMNKJABVMVJZ-UHFFFAOYSA-N
MW397.36 g/mol
LogP4.30
Rot. Bonds3

About 1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide

1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide (PubChem CID 156577181) has the molecular formula C20H14F3N5O and a molecular weight of 397.36 g/mol. Its IUPAC name is 1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide
PubChem CID156577181
Molecular FormulaC20H14F3N5O
Molecular Weight397.36 g/mol
Exact Mass397.12
IUPAC Name1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide
SMILESCn1c(-c2cccc3ncccc23)cnc1C(=O)Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C20H14F3N5O/c1-28-16(14-4-2-6-15-13(14)5-3-8-24-15)11-26-18(28)19(29)27-12-7-9-25-17(10-12)20(21,22)23/h2-11H,1H3,(H,25,27,29)
InChIKeyIVBMNKJABVMVJZ-UHFFFAOYSA-N
XLogP4.30
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide?
The IUPAC name of 1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide (CID 156577181) is 1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide?
The canonical SMILES for 1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide is Cn1c(-c2cccc3ncccc23)cnc1C(=O)Nc1ccnc(C(F)(F)F)c1.
What is the InChIKey of 1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide?
The InChIKey is IVBMNKJABVMVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O/c1-28-16(14-4-2-6-15-13(14)5-3-8-24-15)11-26-18(28)19(29)27-12-7-9-25-17(10-12)20(21,22)23/h2-11H,1H3,(H,25,27,29).
What are the key properties of 1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide?
1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide has a molecular weight of 397.36 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide is sourced from PubChem (CID 156577181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).