N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C18H14F3N5O — CID 70788556

IUPACN-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCn1c(CNC(=O)c2ccc3nccn3c2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C18H14F3N5O/c1-25-14-4-3-12(18(19,20)21)8-13(14)24-16(25)9-23-17(27)11-2-5-15-22-6-7-26(15)10-11/h2-8,10H,9H2,1H3,(H,23,27)
InChIKeyGCLWKIXRPTTWES-UHFFFAOYSA-N
MW373.34 g/mol
LogP3.17
Rot. Bonds3

About N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 70788556) has the molecular formula C18H14F3N5O and a molecular weight of 373.34 g/mol. Its IUPAC name is N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID70788556
Molecular FormulaC18H14F3N5O
Molecular Weight373.34 g/mol
Exact Mass373.12
IUPAC NameN-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCn1c(CNC(=O)c2ccc3nccn3c2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C18H14F3N5O/c1-25-14-4-3-12(18(19,20)21)8-13(14)24-16(25)9-23-17(27)11-2-5-15-22-6-7-26(15)10-11/h2-8,10H,9H2,1H3,(H,23,27)
InChIKeyGCLWKIXRPTTWES-UHFFFAOYSA-N
XLogP3.17
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 70788556) is N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is Cn1c(CNC(=O)c2ccc3nccn3c2)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is GCLWKIXRPTTWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O/c1-25-14-4-3-12(18(19,20)21)8-13(14)24-16(25)9-23-17(27)11-2-5-15-22-6-7-26(15)10-11/h2-8,10H,9H2,1H3,(H,23,27).
What are the key properties of N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 373.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 70788556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).