2-(2,2,2-trifluoroacetyl)-N-[4-[6-[[2-(2,2,2-trifluoroacetyl)cyclopentanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopentane-1-carboxamide

C29H26F6N4O4 — CID 18718200

IUPAC2-(2,2,2-trifluoroacetyl)-N-[4-[6-[[2-(2,2,2-trifluoroacetyl)cyclopentanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCC4C(=O)C(F)(F)F)cc3[nH]2)cc1)C1CCCC1C(=O)C(F)(F)F
InChIInChI=1S/C29H26F6N4O4/c30-28(31,32)23(40)17-3-1-5-19(17)26(42)36-15-9-7-14(8-10-15)25-38-21-12-11-16(13-22(21)39-25)37-27(43)20-6-2-4-18(20)24(41)29(33,34)35/h7-13,17-20H,1-6H2,(H,36,42)(H,37,43)(H,38,39)
InChIKeyCVVDBBOFIUZESX-UHFFFAOYSA-N
MW608.54 g/mol
LogP6.20
Rot. Bonds7

About 2-(2,2,2-trifluoroacetyl)-N-[4-[6-[[2-(2,2,2-trifluoroacetyl)cyclopentanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopentane-1-carboxamide

2-(2,2,2-trifluoroacetyl)-N-[4-[6-[[2-(2,2,2-trifluoroacetyl)cyclopentanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopentane-1-carboxamide (PubChem CID 18718200) has the molecular formula C29H26F6N4O4 and a molecular weight of 608.54 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroacetyl)-N-[4-[6-[[2-(2,2,2-trifluoroacetyl)cyclopentanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroacetyl)-N-[4-[6-[[2-(2,2,2-trifluoroacetyl)cyclopentanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopentane-1-carboxamide
PubChem CID18718200
Molecular FormulaC29H26F6N4O4
Molecular Weight608.54 g/mol
Exact Mass608.19
IUPAC Name2-(2,2,2-trifluoroacetyl)-N-[4-[6-[[2-(2,2,2-trifluoroacetyl)cyclopentanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCC4C(=O)C(F)(F)F)cc3[nH]2)cc1)C1CCCC1C(=O)C(F)(F)F
InChIInChI=1S/C29H26F6N4O4/c30-28(31,32)23(40)17-3-1-5-19(17)26(42)36-15-9-7-14(8-10-15)25-38-21-12-11-16(13-22(21)39-25)37-27(43)20-6-2-4-18(20)24(41)29(33,34)35/h7-13,17-20H,1-6H2,(H,36,42)(H,37,43)(H,38,39)
InChIKeyCVVDBBOFIUZESX-UHFFFAOYSA-N
XLogP6.20
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.54
LogP ≤ 56.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroacetyl)-N-[4-[6-[[2-(2,2,2-trifluoroacetyl)cyclopentanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-(2,2,2-trifluoroacetyl)-N-[4-[6-[[2-(2,2,2-trifluoroacetyl)cyclopentanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopentane-1-carboxamide (CID 18718200) is 2-(2,2,2-trifluoroacetyl)-N-[4-[6-[[2-(2,2,2-trifluoroacetyl)cyclopentanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(2,2,2-trifluoroacetyl)-N-[4-[6-[[2-(2,2,2-trifluoroacetyl)cyclopentanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-(2,2,2-trifluoroacetyl)-N-[4-[6-[[2-(2,2,2-trifluoroacetyl)cyclopentanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopentane-1-carboxamide is O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCC4C(=O)C(F)(F)F)cc3[nH]2)cc1)C1CCCC1C(=O)C(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroacetyl)-N-[4-[6-[[2-(2,2,2-trifluoroacetyl)cyclopentanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopentane-1-carboxamide?
The InChIKey is CVVDBBOFIUZESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F6N4O4/c30-28(31,32)23(40)17-3-1-5-19(17)26(42)36-15-9-7-14(8-10-15)25-38-21-12-11-16(13-22(21)39-25)37-27(43)20-6-2-4-18(20)24(41)29(33,34)35/h7-13,17-20H,1-6H2,(H,36,42)(H,37,43)(H,38,39).
What are the key properties of 2-(2,2,2-trifluoroacetyl)-N-[4-[6-[[2-(2,2,2-trifluoroacetyl)cyclopentanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopentane-1-carboxamide?
2-(2,2,2-trifluoroacetyl)-N-[4-[6-[[2-(2,2,2-trifluoroacetyl)cyclopentanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopentane-1-carboxamide has a molecular weight of 608.54 g/mol, XLogP of 6.20, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroacetyl)-N-[4-[6-[[2-(2,2,2-trifluoroacetyl)cyclopentanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 18718200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).