N-(5-chloro-1-methylbenzimidazol-2-yl)-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide

C19H13ClFN5O2 — CID 99635015

IUPACN-(5-chloro-1-methylbenzimidazol-2-yl)-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESCn1c(NC(=O)c2ccc(=O)n(-c3ccccc3F)n2)nc2cc(Cl)ccc21
InChIInChI=1S/C19H13ClFN5O2/c1-25-16-8-6-11(20)10-14(16)22-19(25)23-18(28)13-7-9-17(27)26(24-13)15-5-3-2-4-12(15)21/h2-10H,1H3,(H,22,23,28)
InChIKeyHVPCSEHXZPDFPO-UHFFFAOYSA-N
MW397.80 g/mol
LogP3.16
Rot. Bonds3

About N-(5-chloro-1-methylbenzimidazol-2-yl)-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide

N-(5-chloro-1-methylbenzimidazol-2-yl)-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 99635015) has the molecular formula C19H13ClFN5O2 and a molecular weight of 397.80 g/mol. Its IUPAC name is N-(5-chloro-1-methylbenzimidazol-2-yl)-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-1-methylbenzimidazol-2-yl)-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
PubChem CID99635015
Molecular FormulaC19H13ClFN5O2
Molecular Weight397.80 g/mol
Exact Mass397.07
IUPAC NameN-(5-chloro-1-methylbenzimidazol-2-yl)-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESCn1c(NC(=O)c2ccc(=O)n(-c3ccccc3F)n2)nc2cc(Cl)ccc21
InChIInChI=1S/C19H13ClFN5O2/c1-25-16-8-6-11(20)10-14(16)22-19(25)23-18(28)13-7-9-17(27)26(24-13)15-5-3-2-4-12(15)21/h2-10H,1H3,(H,22,23,28)
InChIKeyHVPCSEHXZPDFPO-UHFFFAOYSA-N
XLogP3.16
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.80
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(2-chloro-3-fluorophenyl)ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 167473627
2-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]pentanoic acid
CID 120534639
N-(5-chloro-1-methylbenzimidazol-2-yl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 86868766
N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 166397699
2-ethyl-2-[[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]methyl]butanoic acid
CID 120533304
N-[(1R)-1-[5-[5-chloro-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 167473502
N-[1-[5-[5-chloro-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 175583268
7-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]heptanoic acid
CID 120524043
N-[(1R)-1-[5-amino-2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 167473587
1-[(3-chloro-4-fluorophenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 19272608
3-[ethyl-[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
CID 120516708
N-[1-[2-chloro-5-nitro-3-(trifluoromethyl)phenyl]ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 175582849

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1-methylbenzimidazol-2-yl)-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(5-chloro-1-methylbenzimidazol-2-yl)-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide (CID 99635015) is N-(5-chloro-1-methylbenzimidazol-2-yl)-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-1-methylbenzimidazol-2-yl)-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(5-chloro-1-methylbenzimidazol-2-yl)-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide is Cn1c(NC(=O)c2ccc(=O)n(-c3ccccc3F)n2)nc2cc(Cl)ccc21.
What is the InChIKey of N-(5-chloro-1-methylbenzimidazol-2-yl)-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is HVPCSEHXZPDFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN5O2/c1-25-16-8-6-11(20)10-14(16)22-19(25)23-18(28)13-7-9-17(27)26(24-13)15-5-3-2-4-12(15)21/h2-10H,1H3,(H,22,23,28).
What are the key properties of N-(5-chloro-1-methylbenzimidazol-2-yl)-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide?
N-(5-chloro-1-methylbenzimidazol-2-yl)-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 397.80 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1-methylbenzimidazol-2-yl)-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 99635015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).