N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-benzimidazole-4-carboxamide

C18H17F3N4O2 — CID 67509380

IUPACN-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-benzimidazole-4-carboxamide
SMILESCc1cc(C(C)NC(=O)c2cccc3[nH]cnc23)cnc1OCC(F)(F)F
InChIInChI=1S/C18H17F3N4O2/c1-10-6-12(7-22-17(10)27-8-18(19,20)21)11(2)25-16(26)13-4-3-5-14-15(13)24-9-23-14/h3-7,9,11H,8H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyWFSQBIRRTNQINZ-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.70
Rot. Bonds5

About N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-benzimidazole-4-carboxamide

N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-benzimidazole-4-carboxamide (PubChem CID 67509380) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-benzimidazole-4-carboxamide
PubChem CID67509380
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC NameN-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-benzimidazole-4-carboxamide
SMILESCc1cc(C(C)NC(=O)c2cccc3[nH]cnc23)cnc1OCC(F)(F)F
InChIInChI=1S/C18H17F3N4O2/c1-10-6-12(7-22-17(10)27-8-18(19,20)21)11(2)25-16(26)13-4-3-5-14-15(13)24-9-23-14/h3-7,9,11H,8H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyWFSQBIRRTNQINZ-UHFFFAOYSA-N
XLogP3.70
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-aminobutan-2-yl)-1H-benzimidazole-4-carboxamide
CID 91470485
2-chloro-6-(hydroxymethyl)-N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 87427459
2-methyl-N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-6-(propanoylamino)pyridine-4-carboxamide
CID 67508940
N-methyl-1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine;hydrochloride
CID 67509330
methyl 2-[6-chloro-4-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethylcarbamoyl]-2-pyridinyl]acetate
CID 141458166
N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 86925855
2-methylpropan-2-amine;N-[1-[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 162621501
[2-methyl-4-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate
CID 174836579
N-(3-methylbutyl)-1H-benzimidazole-4-carboxamide
CID 110700889
1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethylcarbamic acid
CID 87427111
2-phenoxy-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]benzamide
CID 118497754
2-amino-N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 67509759

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-benzimidazole-4-carboxamide (CID 67509380) is N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-benzimidazole-4-carboxamide is Cc1cc(C(C)NC(=O)c2cccc3[nH]cnc23)cnc1OCC(F)(F)F.
What is the InChIKey of N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is WFSQBIRRTNQINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c1-10-6-12(7-22-17(10)27-8-18(19,20)21)11(2)25-16(26)13-4-3-5-14-15(13)24-9-23-14/h3-7,9,11H,8H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-benzimidazole-4-carboxamide?
N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 378.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 67509380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).