5-N-(1-carbamoylcyclohexyl)-6-chloro-1-ethyl-2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide

C27H25ClF7N5O3 — CID 150453542

IUPAC5-N-(1-carbamoylcyclohexyl)-6-chloro-1-ethyl-2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide
SMILESCCn1c(C(=O)NC(c2ccc(F)c(C(F)(F)F)c2)C(F)(F)F)nc2cc(C(=O)NC3(C(N)=O)CCCCC3)c(Cl)cc21
InChIInChI=1S/C27H25ClF7N5O3/c1-2-40-19-12-16(28)14(22(41)39-25(24(36)43)8-4-3-5-9-25)11-18(19)37-21(40)23(42)38-20(27(33,34)35)13-6-7-17(29)15(10-13)26(30,31)32/h6-7,10-12,20H,2-5,8-9H2,1H3,(H2,36,43)(H,38,42)(H,39,41)
InChIKeyHOHUCADFDHSUDU-UHFFFAOYSA-N
MW635.97 g/mol
LogP5.82
Rot. Bonds7

About 5-N-(1-carbamoylcyclohexyl)-6-chloro-1-ethyl-2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide

5-N-(1-carbamoylcyclohexyl)-6-chloro-1-ethyl-2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide (PubChem CID 150453542) has the molecular formula C27H25ClF7N5O3 and a molecular weight of 635.97 g/mol. Its IUPAC name is 5-N-(1-carbamoylcyclohexyl)-6-chloro-1-ethyl-2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1-carbamoylcyclohexyl)-6-chloro-1-ethyl-2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide
PubChem CID150453542
Molecular FormulaC27H25ClF7N5O3
Molecular Weight635.97 g/mol
Exact Mass635.15
IUPAC Name5-N-(1-carbamoylcyclohexyl)-6-chloro-1-ethyl-2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide
SMILESCCn1c(C(=O)NC(c2ccc(F)c(C(F)(F)F)c2)C(F)(F)F)nc2cc(C(=O)NC3(C(N)=O)CCCCC3)c(Cl)cc21
InChIInChI=1S/C27H25ClF7N5O3/c1-2-40-19-12-16(28)14(22(41)39-25(24(36)43)8-4-3-5-9-25)11-18(19)37-21(40)23(42)38-20(27(33,34)35)13-6-7-17(29)15(10-13)26(30,31)32/h6-7,10-12,20H,2-5,8-9H2,1H3,(H2,36,43)(H,38,42)(H,39,41)
InChIKeyHOHUCADFDHSUDU-UHFFFAOYSA-N
XLogP5.82
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.97
LogP ≤ 55.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-N-(1-carbamoylcyclohexyl)-6-chloro-1-ethyl-2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-N-(1-carbamoylcyclohexyl)-6-chloro-1-ethyl-2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide?
The IUPAC name of 5-N-(1-carbamoylcyclohexyl)-6-chloro-1-ethyl-2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide (CID 150453542) is 5-N-(1-carbamoylcyclohexyl)-6-chloro-1-ethyl-2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide.
What is the SMILES notation for 5-N-(1-carbamoylcyclohexyl)-6-chloro-1-ethyl-2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide?
The canonical SMILES for 5-N-(1-carbamoylcyclohexyl)-6-chloro-1-ethyl-2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide is CCn1c(C(=O)NC(c2ccc(F)c(C(F)(F)F)c2)C(F)(F)F)nc2cc(C(=O)NC3(C(N)=O)CCCCC3)c(Cl)cc21.
What is the InChIKey of 5-N-(1-carbamoylcyclohexyl)-6-chloro-1-ethyl-2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide?
The InChIKey is HOHUCADFDHSUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClF7N5O3/c1-2-40-19-12-16(28)14(22(41)39-25(24(36)43)8-4-3-5-9-25)11-18(19)37-21(40)23(42)38-20(27(33,34)35)13-6-7-17(29)15(10-13)26(30,31)32/h6-7,10-12,20H,2-5,8-9H2,1H3,(H2,36,43)(H,38,42)(H,39,41).
What are the key properties of 5-N-(1-carbamoylcyclohexyl)-6-chloro-1-ethyl-2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide?
5-N-(1-carbamoylcyclohexyl)-6-chloro-1-ethyl-2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide has a molecular weight of 635.97 g/mol, XLogP of 5.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-carbamoylcyclohexyl)-6-chloro-1-ethyl-2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide is sourced from PubChem (CID 150453542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).