4-(dimethylamino)-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide

C23H20F3N5O2 — CID 24850065

IUPAC4-(dimethylamino)-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccc(N(C)C)cc2)nc1
InChIInChI=1S/C23H20F3N5O2/c1-30(2)15-6-4-14(5-7-15)21(32)29-20-11-8-16(13-27-20)31-19-10-9-17(33-3)12-18(19)28-22(31)23(24,25)26/h4-13H,1-3H3,(H,27,29,32)
InChIKeyXKMRCTWUSZHOPM-UHFFFAOYSA-N
MW455.44 g/mol
LogP4.77
Rot. Bonds5

About 4-(dimethylamino)-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide

4-(dimethylamino)-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide (PubChem CID 24850065) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide
PubChem CID24850065
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC Name4-(dimethylamino)-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccc(N(C)C)cc2)nc1
InChIInChI=1S/C23H20F3N5O2/c1-30(2)15-6-4-14(5-7-15)21(32)29-20-11-8-16(13-27-20)31-19-10-9-17(33-3)12-18(19)28-22(31)23(24,25)26/h4-13H,1-3H3,(H,27,29,32)
InChIKeyXKMRCTWUSZHOPM-UHFFFAOYSA-N
XLogP4.77
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide (CID 24850065) is 4-(dimethylamino)-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide is COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccc(N(C)C)cc2)nc1.
What is the InChIKey of 4-(dimethylamino)-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide?
The InChIKey is XKMRCTWUSZHOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c1-30(2)15-6-4-14(5-7-15)21(32)29-20-11-8-16(13-27-20)31-19-10-9-17(33-3)12-18(19)28-22(31)23(24,25)26/h4-13H,1-3H3,(H,27,29,32).
What are the key properties of 4-(dimethylamino)-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide?
4-(dimethylamino)-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide has a molecular weight of 455.44 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 24850065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).