N-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-2-yl]ethyl]-2,2,2-trifluoroacetamide

C19H15F3N4O2 — CID 90121915

IUPACN-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-2-yl]ethyl]-2,2,2-trifluoroacetamide
SMILESCC1(CCNC(=O)C(F)(F)F)N=c2ccc(-c3nc4ccccc4o3)cc2=N1
InChIInChI=1S/C19H15F3N4O2/c1-18(8-9-23-17(27)19(20,21)22)25-12-7-6-11(10-14(12)26-18)16-24-13-4-2-3-5-15(13)28-16/h2-7,10H,8-9H2,1H3,(H,23,27)
InChIKeyYPRLMOQEVZCBCT-UHFFFAOYSA-N
MW388.35 g/mol
LogP2.53
Rot. Bonds4

About N-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-2-yl]ethyl]-2,2,2-trifluoroacetamide

N-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-2-yl]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 90121915) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is N-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-2-yl]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-2-yl]ethyl]-2,2,2-trifluoroacetamide
PubChem CID90121915
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC NameN-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-2-yl]ethyl]-2,2,2-trifluoroacetamide
SMILESCC1(CCNC(=O)C(F)(F)F)N=c2ccc(-c3nc4ccccc4o3)cc2=N1
InChIInChI=1S/C19H15F3N4O2/c1-18(8-9-23-17(27)19(20,21)22)25-12-7-6-11(10-14(12)26-18)16-24-13-4-2-3-5-15(13)28-16/h2-7,10H,8-9H2,1H3,(H,23,27)
InChIKeyYPRLMOQEVZCBCT-UHFFFAOYSA-N
XLogP2.53
TPSA79.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-2-yl]ethyl]-2,2,2-trifluoroacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-2-yl]ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-2-yl]ethyl]-2,2,2-trifluoroacetamide (CID 90121915) is N-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-2-yl]ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-2-yl]ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-2-yl]ethyl]-2,2,2-trifluoroacetamide is CC1(CCNC(=O)C(F)(F)F)N=c2ccc(-c3nc4ccccc4o3)cc2=N1.
What is the InChIKey of N-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-2-yl]ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is YPRLMOQEVZCBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-18(8-9-23-17(27)19(20,21)22)25-12-7-6-11(10-14(12)26-18)16-24-13-4-2-3-5-15(13)28-16/h2-7,10H,8-9H2,1H3,(H,23,27).
What are the key properties of N-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-2-yl]ethyl]-2,2,2-trifluoroacetamide?
N-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-2-yl]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 388.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-2-yl]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 90121915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).