4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)imidazol-4-yl]benzamide

C19H16ClFN4O2 — CID 134325326

IUPAC4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)imidazol-4-yl]benzamide
SMILESCOc1cncc(-n2cnc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)c2)c1
InChIInChI=1S/C19H16ClFN4O2/c1-27-13-4-12(7-22-8-13)25-9-18(23-10-25)14-5-15(17(21)6-16(14)20)19(26)24-11-2-3-11/h4-11H,2-3H2,1H3,(H,24,26)
InChIKeyRXEJMLWMFKBOOD-UHFFFAOYSA-N
MW386.81 g/mol
LogP3.63
Rot. Bonds5

About 4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)imidazol-4-yl]benzamide

4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)imidazol-4-yl]benzamide (PubChem CID 134325326) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)imidazol-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)imidazol-4-yl]benzamide
PubChem CID134325326
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC Name4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)imidazol-4-yl]benzamide
SMILESCOc1cncc(-n2cnc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)c2)c1
InChIInChI=1S/C19H16ClFN4O2/c1-27-13-4-12(7-22-8-13)25-9-18(23-10-25)14-5-15(17(21)6-16(14)20)19(26)24-11-2-3-11/h4-11H,2-3H2,1H3,(H,24,26)
InChIKeyRXEJMLWMFKBOOD-UHFFFAOYSA-N
XLogP3.63
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)imidazol-4-yl]benzamide?
The IUPAC name of 4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)imidazol-4-yl]benzamide (CID 134325326) is 4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)imidazol-4-yl]benzamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)imidazol-4-yl]benzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)imidazol-4-yl]benzamide is COc1cncc(-n2cnc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)c2)c1.
What is the InChIKey of 4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)imidazol-4-yl]benzamide?
The InChIKey is RXEJMLWMFKBOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c1-27-13-4-12(7-22-8-13)25-9-18(23-10-25)14-5-15(17(21)6-16(14)20)19(26)24-11-2-3-11/h4-11H,2-3H2,1H3,(H,24,26).
What are the key properties of 4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)imidazol-4-yl]benzamide?
4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)imidazol-4-yl]benzamide has a molecular weight of 386.81 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-2-fluoro-5-[1-(5-methoxy-3-pyridinyl)imidazol-4-yl]benzamide is sourced from PubChem (CID 134325326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).