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

C22H16FN5O — CID 67291380

IUPACN-[6-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccc2nc(C(=O)Nc3nc4ccc(-c5cccc(F)c5)cc4[nH]3)cn12
InChIInChI=1S/C22H16FN5O/c1-13-4-2-7-20-24-19(12-28(13)20)21(29)27-22-25-17-9-8-15(11-18(17)26-22)14-5-3-6-16(23)10-14/h2-12H,1H3,(H2,25,26,27,29)
InChIKeyGSZBIVNTICTVJE-UHFFFAOYSA-N
MW385.40 g/mol
LogP4.58
Rot. Bonds3

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

N-[6-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 67291380) has the molecular formula C22H16FN5O and a molecular weight of 385.40 g/mol. Its IUPAC name is N-[6-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID67291380
Molecular FormulaC22H16FN5O
Molecular Weight385.40 g/mol
Exact Mass385.13
IUPAC NameN-[6-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccc2nc(C(=O)Nc3nc4ccc(-c5cccc(F)c5)cc4[nH]3)cn12
InChIInChI=1S/C22H16FN5O/c1-13-4-2-7-20-24-19(12-28(13)20)21(29)27-22-25-17-9-8-15(11-18(17)26-22)14-5-3-6-16(23)10-14/h2-12H,1H3,(H2,25,26,27,29)
InChIKeyGSZBIVNTICTVJE-UHFFFAOYSA-N
XLogP4.58
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[6-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 67291380) is N-[6-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[6-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide is Cc1cccc2nc(C(=O)Nc3nc4ccc(-c5cccc(F)c5)cc4[nH]3)cn12.
What is the InChIKey of N-[6-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is GSZBIVNTICTVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O/c1-13-4-2-7-20-24-19(12-28(13)20)21(29)27-22-25-17-9-8-15(11-18(17)26-22)14-5-3-6-16(23)10-14/h2-12H,1H3,(H2,25,26,27,29).
What are the key properties of N-[6-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-[6-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 385.40 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 67291380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).