2-[(2R)-oxolan-2-yl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide

C20H17F3N4O3 — CID 175851948

IUPAC2-[(2R)-oxolan-2-yl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c([C@H]3CCCO3)nc12
InChIInChI=1S/C20H17F3N4O3/c21-20(22,23)13-5-2-1-4-11(13)19(29)25-10-8-12(17(24)28)16-14(9-10)26-18(27-16)15-6-3-7-30-15/h1-2,4-5,8-9,15H,3,6-7H2,(H2,24,28)(H,25,29)(H,26,27)/t15-/m1/s1
InChIKeyPMAVXEJDXPCGMG-OAHLLOKOSA-N
MW418.38 g/mol
LogP3.78
Rot. Bonds4

About 2-[(2R)-oxolan-2-yl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide

2-[(2R)-oxolan-2-yl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide (PubChem CID 175851948) has the molecular formula C20H17F3N4O3 and a molecular weight of 418.38 g/mol. Its IUPAC name is 2-[(2R)-oxolan-2-yl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2R)-oxolan-2-yl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
PubChem CID175851948
Molecular FormulaC20H17F3N4O3
Molecular Weight418.38 g/mol
Exact Mass418.13
IUPAC Name2-[(2R)-oxolan-2-yl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c([C@H]3CCCO3)nc12
InChIInChI=1S/C20H17F3N4O3/c21-20(22,23)13-5-2-1-4-11(13)19(29)25-10-8-12(17(24)28)16-14(9-10)26-18(27-16)15-6-3-7-30-15/h1-2,4-5,8-9,15H,3,6-7H2,(H2,24,28)(H,25,29)(H,26,27)/t15-/m1/s1
InChIKeyPMAVXEJDXPCGMG-OAHLLOKOSA-N
XLogP3.78
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-morpholin-4-ylethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71267439
N-(3-chloro-2-methylphenyl)-2-cyclopentyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71267558
N-cyclohexyl-2-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71532197
N-(3-chloro-2-methylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride
CID 90229597
2-(2-amino-2-oxoethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide
CID 90229274
N-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 90229340
tert-butyl 3-[4-[(3-chloro-2-methylphenyl)carbamoyl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]azetidine-1-carboxylate
CID 71532467
2-tert-butyl-N-(3-chloro-2-methylphenyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 90229480
N-(3-chloro-2-methylphenyl)-2-pyrrolidin-1-yl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 90243704
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrrole-2-carboxamide
CID 71936234
N-(2-fluorophenyl)-2-(methoxymethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71532252
N-(3-chloro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 78058173

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-oxolan-2-yl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[(2R)-oxolan-2-yl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide (CID 175851948) is 2-[(2R)-oxolan-2-yl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[(2R)-oxolan-2-yl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[(2R)-oxolan-2-yl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide is NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c([C@H]3CCCO3)nc12.
What is the InChIKey of 2-[(2R)-oxolan-2-yl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
The InChIKey is PMAVXEJDXPCGMG-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H17F3N4O3/c21-20(22,23)13-5-2-1-4-11(13)19(29)25-10-8-12(17(24)28)16-14(9-10)26-18(27-16)15-6-3-7-30-15/h1-2,4-5,8-9,15H,3,6-7H2,(H2,24,28)(H,25,29)(H,26,27)/t15-/m1/s1.
What are the key properties of 2-[(2R)-oxolan-2-yl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
2-[(2R)-oxolan-2-yl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide has a molecular weight of 418.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-oxolan-2-yl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 175851948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).