4-methoxy-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]pyridin-3-amine

C16H15F3N4O — CID 99577205

IUPAC4-methoxy-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]pyridin-3-amine
SMILESCOc1ccncc1NCc1nc2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C16H15F3N4O/c1-23-13-4-3-10(16(17,18)19)7-11(13)22-15(23)9-21-12-8-20-6-5-14(12)24-2/h3-8,21H,9H2,1-2H3
InChIKeyVTHVDIXLWADURS-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.61
Rot. Bonds4

About 4-methoxy-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]pyridin-3-amine

4-methoxy-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]pyridin-3-amine (PubChem CID 99577205) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is 4-methoxy-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name4-methoxy-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]pyridin-3-amine
PubChem CID99577205
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC Name4-methoxy-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]pyridin-3-amine
SMILESCOc1ccncc1NCc1nc2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C16H15F3N4O/c1-23-13-4-3-10(16(17,18)19)7-11(13)22-15(23)9-21-12-8-20-6-5-14(12)24-2/h3-8,21H,9H2,1-2H3
InChIKeyVTHVDIXLWADURS-UHFFFAOYSA-N
XLogP3.61
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]pyridin-3-amine?
The IUPAC name of 4-methoxy-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]pyridin-3-amine (CID 99577205) is 4-methoxy-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]pyridin-3-amine.
What is the SMILES notation for 4-methoxy-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]pyridin-3-amine?
The canonical SMILES for 4-methoxy-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]pyridin-3-amine is COc1ccncc1NCc1nc2cc(C(F)(F)F)ccc2n1C.
What is the InChIKey of 4-methoxy-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]pyridin-3-amine?
The InChIKey is VTHVDIXLWADURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c1-23-13-4-3-10(16(17,18)19)7-11(13)22-15(23)9-21-12-8-20-6-5-14(12)24-2/h3-8,21H,9H2,1-2H3.
What are the key properties of 4-methoxy-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]pyridin-3-amine?
4-methoxy-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]pyridin-3-amine has a molecular weight of 336.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]pyridin-3-amine is sourced from PubChem (CID 99577205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).