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

C19H15F3N4O2 — CID 86664951

IUPACN-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]ethyl]-2,2,2-trifluoroacetamide
SMILESCc1nc2cc(-c3nc4ccccc4o3)ccc2n1CCNC(=O)C(F)(F)F
InChIInChI=1S/C19H15F3N4O2/c1-11-24-14-10-12(17-25-13-4-2-3-5-16(13)28-17)6-7-15(14)26(11)9-8-23-18(27)19(20,21)22/h2-7,10H,8-9H2,1H3,(H,23,27)
InChIKeyGGASGJZYMXHNMV-UHFFFAOYSA-N
MW388.35 g/mol
LogP3.83
Rot. Bonds4

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

N-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 86664951) 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-1-yl]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]ethyl]-2,2,2-trifluoroacetamide
PubChem CID86664951
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC NameN-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]ethyl]-2,2,2-trifluoroacetamide
SMILESCc1nc2cc(-c3nc4ccccc4o3)ccc2n1CCNC(=O)C(F)(F)F
InChIInChI=1S/C19H15F3N4O2/c1-11-24-14-10-12(17-25-13-4-2-3-5-16(13)28-17)6-7-15(14)26(11)9-8-23-18(27)19(20,21)22/h2-7,10H,8-9H2,1H3,(H,23,27)
InChIKeyGGASGJZYMXHNMV-UHFFFAOYSA-N
XLogP3.83
TPSA72.95 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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]ethyl]-2,2,2-trifluoroacetamide (CID 86664951) is N-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]ethyl]-2,2,2-trifluoroacetamide is Cc1nc2cc(-c3nc4ccccc4o3)ccc2n1CCNC(=O)C(F)(F)F.
What is the InChIKey of N-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is GGASGJZYMXHNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-11-24-14-10-12(17-25-13-4-2-3-5-16(13)28-17)6-7-15(14)26(11)9-8-23-18(27)19(20,21)22/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-1-yl]ethyl]-2,2,2-trifluoroacetamide?
N-[2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 388.35 g/mol, XLogP of 3.83, 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-1-yl]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 86664951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).