N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide

C22H15ClFN5O2 — CID 67291402

IUPACN-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1cccn2cc(C(=O)Nc3nc4ccc(-c5cc(F)cc(Cl)c5)cc4[nH]3)nc12
InChIInChI=1S/C22H15ClFN5O2/c1-31-19-3-2-6-29-11-18(25-20(19)29)21(30)28-22-26-16-5-4-12(9-17(16)27-22)13-7-14(23)10-15(24)8-13/h2-11H,1H3,(H2,26,27,28,30)
InChIKeyQYUCNZAQLPPSMR-UHFFFAOYSA-N
MW435.85 g/mol
LogP4.93
Rot. Bonds4

About N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide

N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 67291402) has the molecular formula C22H15ClFN5O2 and a molecular weight of 435.85 g/mol. Its IUPAC name is N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID67291402
Molecular FormulaC22H15ClFN5O2
Molecular Weight435.85 g/mol
Exact Mass435.09
IUPAC NameN-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1cccn2cc(C(=O)Nc3nc4ccc(-c5cc(F)cc(Cl)c5)cc4[nH]3)nc12
InChIInChI=1S/C22H15ClFN5O2/c1-31-19-3-2-6-29-11-18(25-20(19)29)21(30)28-22-26-16-5-4-12(9-17(16)27-22)13-7-14(23)10-15(24)8-13/h2-11H,1H3,(H2,26,27,28,30)
InChIKeyQYUCNZAQLPPSMR-UHFFFAOYSA-N
XLogP4.93
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.85
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-6-fluoro-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide
CID 67291129
N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-ethoxy-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
CID 67290065
6,8-dichloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 67290201
N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-(dimethylamino)-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
CID 67289032
5-chloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87073863
N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide
CID 141279216
N-[6-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 67291380
1-[6-(2,6-dimethoxyphenyl)-1H-benzimidazol-2-yl]-3-ethylurea
CID 71655403
N-[6-(3-chloro-4-propan-2-yloxyphenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 67290095
N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 67289782
(1S)-1-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]ethanol
CID 97454007
5-(methylaminomethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 67290214

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide (CID 67291402) is N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide is COc1cccn2cc(C(=O)Nc3nc4ccc(-c5cc(F)cc(Cl)c5)cc4[nH]3)nc12.
What is the InChIKey of N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is QYUCNZAQLPPSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN5O2/c1-31-19-3-2-6-29-11-18(25-20(19)29)21(30)28-22-26-16-5-4-12(9-17(16)27-22)13-7-14(23)10-15(24)8-13/h2-11H,1H3,(H2,26,27,28,30).
What are the key properties of N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide?
N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 435.85 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 67291402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).