5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methylpyridin-2-amine

C17H18F2N4 — CID 135162251

IUPAC5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methylpyridin-2-amine
SMILESCNc1cc(-c2cc(F)c3nc(C)n(C(C)C)c3c2)c(F)cn1
InChIInChI=1S/C17H18F2N4/c1-9(2)23-10(3)22-17-13(18)5-11(6-15(17)23)12-7-16(20-4)21-8-14(12)19/h5-9H,1-4H3,(H,20,21)
InChIKeyVONMGIMBBIKYDN-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.31
Rot. Bonds3

About 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methylpyridin-2-amine

5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methylpyridin-2-amine (PubChem CID 135162251) has the molecular formula C17H18F2N4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methylpyridin-2-amine
PubChem CID135162251
Molecular FormulaC17H18F2N4
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methylpyridin-2-amine
SMILESCNc1cc(-c2cc(F)c3nc(C)n(C(C)C)c3c2)c(F)cn1
InChIInChI=1S/C17H18F2N4/c1-9(2)23-10(3)22-17-13(18)5-11(6-15(17)23)12-7-16(20-4)21-8-14(12)19/h5-9H,1-4H3,(H,20,21)
InChIKeyVONMGIMBBIKYDN-UHFFFAOYSA-N
XLogP4.31
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methylpyridin-2-amine?
The IUPAC name of 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methylpyridin-2-amine (CID 135162251) is 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methylpyridin-2-amine is CNc1cc(-c2cc(F)c3nc(C)n(C(C)C)c3c2)c(F)cn1.
What is the InChIKey of 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methylpyridin-2-amine?
The InChIKey is VONMGIMBBIKYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4/c1-9(2)23-10(3)22-17-13(18)5-11(6-15(17)23)12-7-16(20-4)21-8-14(12)19/h5-9H,1-4H3,(H,20,21).
What are the key properties of 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methylpyridin-2-amine?
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methylpyridin-2-amine has a molecular weight of 316.36 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methylpyridin-2-amine is sourced from PubChem (CID 135162251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).