5-[(2-fluorobenzoyl)amino]-3-[(2-fluorophenyl)methyl]imidazole-4-carboxamide

C18H14F2N4O2 — CID 18360382

IUPAC5-[(2-fluorobenzoyl)amino]-3-[(2-fluorophenyl)methyl]imidazole-4-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccccc2F)ncn1Cc1ccccc1F
InChIInChI=1S/C18H14F2N4O2/c19-13-7-3-1-5-11(13)9-24-10-22-17(15(24)16(21)25)23-18(26)12-6-2-4-8-14(12)20/h1-8,10H,9H2,(H2,21,25)(H,23,26)
InChIKeyCTQZOLBZPPUUTQ-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.56
Rot. Bonds5

About 5-[(2-fluorobenzoyl)amino]-3-[(2-fluorophenyl)methyl]imidazole-4-carboxamide

5-[(2-fluorobenzoyl)amino]-3-[(2-fluorophenyl)methyl]imidazole-4-carboxamide (PubChem CID 18360382) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is 5-[(2-fluorobenzoyl)amino]-3-[(2-fluorophenyl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorobenzoyl)amino]-3-[(2-fluorophenyl)methyl]imidazole-4-carboxamide
PubChem CID18360382
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC Name5-[(2-fluorobenzoyl)amino]-3-[(2-fluorophenyl)methyl]imidazole-4-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccccc2F)ncn1Cc1ccccc1F
InChIInChI=1S/C18H14F2N4O2/c19-13-7-3-1-5-11(13)9-24-10-22-17(15(24)16(21)25)23-18(26)12-6-2-4-8-14(12)20/h1-8,10H,9H2,(H2,21,25)(H,23,26)
InChIKeyCTQZOLBZPPUUTQ-UHFFFAOYSA-N
XLogP2.56
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorobenzoyl)amino]-3-[(2-fluorophenyl)methyl]imidazole-4-carboxamide?
The IUPAC name of 5-[(2-fluorobenzoyl)amino]-3-[(2-fluorophenyl)methyl]imidazole-4-carboxamide (CID 18360382) is 5-[(2-fluorobenzoyl)amino]-3-[(2-fluorophenyl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 5-[(2-fluorobenzoyl)amino]-3-[(2-fluorophenyl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 5-[(2-fluorobenzoyl)amino]-3-[(2-fluorophenyl)methyl]imidazole-4-carboxamide is NC(=O)c1c(NC(=O)c2ccccc2F)ncn1Cc1ccccc1F.
What is the InChIKey of 5-[(2-fluorobenzoyl)amino]-3-[(2-fluorophenyl)methyl]imidazole-4-carboxamide?
The InChIKey is CTQZOLBZPPUUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c19-13-7-3-1-5-11(13)9-24-10-22-17(15(24)16(21)25)23-18(26)12-6-2-4-8-14(12)20/h1-8,10H,9H2,(H2,21,25)(H,23,26).
What are the key properties of 5-[(2-fluorobenzoyl)amino]-3-[(2-fluorophenyl)methyl]imidazole-4-carboxamide?
5-[(2-fluorobenzoyl)amino]-3-[(2-fluorophenyl)methyl]imidazole-4-carboxamide has a molecular weight of 356.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorobenzoyl)amino]-3-[(2-fluorophenyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 18360382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).