N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(4-methoxy-2-pyridinyl)-N-methylmethanamine

C16H17FN4O — CID 134711439

IUPACN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(4-methoxy-2-pyridinyl)-N-methylmethanamine
SMILESCOc1ccnc(CN(C)Cc2nc3ccc(F)cc3[nH]2)c1
InChIInChI=1S/C16H17FN4O/c1-21(9-12-8-13(22-2)5-6-18-12)10-16-19-14-4-3-11(17)7-15(14)20-16/h3-8H,9-10H2,1-2H3,(H,19,20)
InChIKeyKGPUPFDIGWBSLI-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.74
Rot. Bonds5

About N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(4-methoxy-2-pyridinyl)-N-methylmethanamine

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(4-methoxy-2-pyridinyl)-N-methylmethanamine (PubChem CID 134711439) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(4-methoxy-2-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(4-methoxy-2-pyridinyl)-N-methylmethanamine
PubChem CID134711439
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(4-methoxy-2-pyridinyl)-N-methylmethanamine
SMILESCOc1ccnc(CN(C)Cc2nc3ccc(F)cc3[nH]2)c1
InChIInChI=1S/C16H17FN4O/c1-21(9-12-8-13(22-2)5-6-18-12)10-16-19-14-4-3-11(17)7-15(14)20-16/h3-8H,9-10H2,1-2H3,(H,19,20)
InChIKeyKGPUPFDIGWBSLI-UHFFFAOYSA-N
XLogP2.74
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(4-methoxy-2-pyridinyl)-N-methylmethanamine?
The IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(4-methoxy-2-pyridinyl)-N-methylmethanamine (CID 134711439) is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(4-methoxy-2-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(4-methoxy-2-pyridinyl)-N-methylmethanamine?
The canonical SMILES for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(4-methoxy-2-pyridinyl)-N-methylmethanamine is COc1ccnc(CN(C)Cc2nc3ccc(F)cc3[nH]2)c1.
What is the InChIKey of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(4-methoxy-2-pyridinyl)-N-methylmethanamine?
The InChIKey is KGPUPFDIGWBSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-21(9-12-8-13(22-2)5-6-18-12)10-16-19-14-4-3-11(17)7-15(14)20-16/h3-8H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(4-methoxy-2-pyridinyl)-N-methylmethanamine?
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(4-methoxy-2-pyridinyl)-N-methylmethanamine has a molecular weight of 300.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(4-methoxy-2-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 134711439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).