2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

C25H21ClF3N5O2 — CID 67502703

IUPAC2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCc1cccc(Cl)c1Nc1nc2c3c(c(C(=O)Nc4ccc(C(F)(F)F)cn4)cc2[nH]1)OC(C)(C)C3
InChIInChI=1S/C25H21ClF3N5O2/c1-12-5-4-6-16(26)19(12)33-23-31-17-9-14(21-15(20(17)34-23)10-24(2,3)36-21)22(35)32-18-8-7-13(11-30-18)25(27,28)29/h4-9,11H,10H2,1-3H3,(H,30,32,35)(H2,31,33,34)
InChIKeyCMVCWCYAFXJCSR-UHFFFAOYSA-N
MW515.92 g/mol
LogP6.65
Rot. Bonds4

About 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (PubChem CID 67502703) has the molecular formula C25H21ClF3N5O2 and a molecular weight of 515.92 g/mol. Its IUPAC name is 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
PubChem CID67502703
Molecular FormulaC25H21ClF3N5O2
Molecular Weight515.92 g/mol
Exact Mass515.13
IUPAC Name2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCc1cccc(Cl)c1Nc1nc2c3c(c(C(=O)Nc4ccc(C(F)(F)F)cn4)cc2[nH]1)OC(C)(C)C3
InChIInChI=1S/C25H21ClF3N5O2/c1-12-5-4-6-16(26)19(12)33-23-31-17-9-14(21-15(20(17)34-23)10-24(2,3)36-21)22(35)32-18-8-7-13(11-30-18)25(27,28)29/h4-9,11H,10H2,1-3H3,(H,30,32,35)(H2,31,33,34)
InChIKeyCMVCWCYAFXJCSR-UHFFFAOYSA-N
XLogP6.65
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.92
LogP ≤ 56.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide 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 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (CID 67502703) is 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is Cc1cccc(Cl)c1Nc1nc2c3c(c(C(=O)Nc4ccc(C(F)(F)F)cn4)cc2[nH]1)OC(C)(C)C3.
What is the InChIKey of 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is CMVCWCYAFXJCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF3N5O2/c1-12-5-4-6-16(26)19(12)33-23-31-17-9-14(21-15(20(17)34-23)10-24(2,3)36-21)22(35)32-18-8-7-13(11-30-18)25(27,28)29/h4-9,11H,10H2,1-3H3,(H,30,32,35)(H2,31,33,34).
What are the key properties of 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 515.92 g/mol, XLogP of 6.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 67502703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).