N-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)anilino]-3H-benzimidazole-5-carboxamide

C22H18F3N5O — CID 67234065

IUPACN-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)anilino]-3H-benzimidazole-5-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccc3nc(Nc4ccccc4C(F)(F)F)[nH]c3c2)c1
InChIInChI=1S/C22H18F3N5O/c1-12-9-13(2)26-19(10-12)30-20(31)14-7-8-17-18(11-14)29-21(28-17)27-16-6-4-3-5-15(16)22(23,24)25/h3-11H,1-2H3,(H,26,30,31)(H2,27,28,29)
InChIKeyIIHWWQOZWSAEPI-UHFFFAOYSA-N
MW425.41 g/mol
LogP5.59
Rot. Bonds4

About N-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)anilino]-3H-benzimidazole-5-carboxamide

N-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)anilino]-3H-benzimidazole-5-carboxamide (PubChem CID 67234065) has the molecular formula C22H18F3N5O and a molecular weight of 425.41 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)anilino]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)anilino]-3H-benzimidazole-5-carboxamide
PubChem CID67234065
Molecular FormulaC22H18F3N5O
Molecular Weight425.41 g/mol
Exact Mass425.15
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)anilino]-3H-benzimidazole-5-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccc3nc(Nc4ccccc4C(F)(F)F)[nH]c3c2)c1
InChIInChI=1S/C22H18F3N5O/c1-12-9-13(2)26-19(10-12)30-20(31)14-7-8-17-18(11-14)29-21(28-17)27-16-6-4-3-5-15(16)22(23,24)25/h3-11H,1-2H3,(H,26,30,31)(H2,27,28,29)
InChIKeyIIHWWQOZWSAEPI-UHFFFAOYSA-N
XLogP5.59
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.41
LogP ≤ 55.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
CID 82562585
5-N-(2-methoxyethyl)-2-N-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-2,5-diamine
CID 141181204
N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 71689923
6-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
CID 141181263
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 87318781
2-(2-bromoanilino)-3H-benzimidazole-5-carboxylic acid
CID 68520464
tert-butyl N-[2-[(6-methyl-1H-benzimidazol-2-yl)amino]phenyl]carbamate
CID 169489442
3-acetamido-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 13177101
2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 9172409
N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzamide
CID 115750615
2-[4-chloro-2-(trifluoromethyl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)-1H-benzimidazole-4-carboxamide
CID 58279308
4-cyano-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 14593012

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)anilino]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)anilino]-3H-benzimidazole-5-carboxamide (CID 67234065) is N-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)anilino]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)anilino]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)anilino]-3H-benzimidazole-5-carboxamide is Cc1cc(C)nc(NC(=O)c2ccc3nc(Nc4ccccc4C(F)(F)F)[nH]c3c2)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)anilino]-3H-benzimidazole-5-carboxamide?
The InChIKey is IIHWWQOZWSAEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O/c1-12-9-13(2)26-19(10-12)30-20(31)14-7-8-17-18(11-14)29-21(28-17)27-16-6-4-3-5-15(16)22(23,24)25/h3-11H,1-2H3,(H,26,30,31)(H2,27,28,29).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)anilino]-3H-benzimidazole-5-carboxamide?
N-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)anilino]-3H-benzimidazole-5-carboxamide has a molecular weight of 425.41 g/mol, XLogP of 5.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)anilino]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 67234065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).