[4-(3-fluoro-2-pyridinyl)-6-(6-methyl-3-pyridinyl)-1H-benzimidazol-2-yl]urea

C19H15FN6O — CID 11545039

IUPAC[4-(3-fluoro-2-pyridinyl)-6-(6-methyl-3-pyridinyl)-1H-benzimidazol-2-yl]urea
SMILESCc1ccc(-c2cc(-c3ncccc3F)c3nc(NC(N)=O)[nH]c3c2)cn1
InChIInChI=1S/C19H15FN6O/c1-10-4-5-11(9-23-10)12-7-13(16-14(20)3-2-6-22-16)17-15(8-12)24-19(25-17)26-18(21)27/h2-9H,1H3,(H4,21,24,25,26,27)
InChIKeyVHUMRWWDEMCUDB-UHFFFAOYSA-N
MW362.37 g/mol
LogP3.63
Rot. Bonds3

About [4-(3-fluoro-2-pyridinyl)-6-(6-methyl-3-pyridinyl)-1H-benzimidazol-2-yl]urea

[4-(3-fluoro-2-pyridinyl)-6-(6-methyl-3-pyridinyl)-1H-benzimidazol-2-yl]urea (PubChem CID 11545039) has the molecular formula C19H15FN6O and a molecular weight of 362.37 g/mol. Its IUPAC name is [4-(3-fluoro-2-pyridinyl)-6-(6-methyl-3-pyridinyl)-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name[4-(3-fluoro-2-pyridinyl)-6-(6-methyl-3-pyridinyl)-1H-benzimidazol-2-yl]urea
PubChem CID11545039
Molecular FormulaC19H15FN6O
Molecular Weight362.37 g/mol
Exact Mass362.13
IUPAC Name[4-(3-fluoro-2-pyridinyl)-6-(6-methyl-3-pyridinyl)-1H-benzimidazol-2-yl]urea
SMILESCc1ccc(-c2cc(-c3ncccc3F)c3nc(NC(N)=O)[nH]c3c2)cn1
InChIInChI=1S/C19H15FN6O/c1-10-4-5-11(9-23-10)12-7-13(16-14(20)3-2-6-22-16)17-15(8-12)24-19(25-17)26-18(21)27/h2-9H,1H3,(H4,21,24,25,26,27)
InChIKeyVHUMRWWDEMCUDB-UHFFFAOYSA-N
XLogP3.63
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoro-2-pyridinyl)-6-(6-methyl-3-pyridinyl)-1H-benzimidazol-2-yl]urea?
The IUPAC name of [4-(3-fluoro-2-pyridinyl)-6-(6-methyl-3-pyridinyl)-1H-benzimidazol-2-yl]urea (CID 11545039) is [4-(3-fluoro-2-pyridinyl)-6-(6-methyl-3-pyridinyl)-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for [4-(3-fluoro-2-pyridinyl)-6-(6-methyl-3-pyridinyl)-1H-benzimidazol-2-yl]urea?
The canonical SMILES for [4-(3-fluoro-2-pyridinyl)-6-(6-methyl-3-pyridinyl)-1H-benzimidazol-2-yl]urea is Cc1ccc(-c2cc(-c3ncccc3F)c3nc(NC(N)=O)[nH]c3c2)cn1.
What is the InChIKey of [4-(3-fluoro-2-pyridinyl)-6-(6-methyl-3-pyridinyl)-1H-benzimidazol-2-yl]urea?
The InChIKey is VHUMRWWDEMCUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O/c1-10-4-5-11(9-23-10)12-7-13(16-14(20)3-2-6-22-16)17-15(8-12)24-19(25-17)26-18(21)27/h2-9H,1H3,(H4,21,24,25,26,27).
What are the key properties of [4-(3-fluoro-2-pyridinyl)-6-(6-methyl-3-pyridinyl)-1H-benzimidazol-2-yl]urea?
[4-(3-fluoro-2-pyridinyl)-6-(6-methyl-3-pyridinyl)-1H-benzimidazol-2-yl]urea has a molecular weight of 362.37 g/mol, XLogP of 3.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoro-2-pyridinyl)-6-(6-methyl-3-pyridinyl)-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 11545039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).