1-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-3-methylurea

C20H23FN6O — CID 67971597

IUPAC1-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-3-methylurea
SMILESCNC(=O)NC1CCN(c2cc(-c3nc4ccccc4n3C)c(F)cn2)CC1
InChIInChI=1S/C20H23FN6O/c1-22-20(28)24-13-7-9-27(10-8-13)18-11-14(15(21)12-23-18)19-25-16-5-3-4-6-17(16)26(19)2/h3-6,11-13H,7-10H2,1-2H3,(H2,22,24,28)
InChIKeyGZDWJFHCCQMHET-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.67
Rot. Bonds3

About 1-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-3-methylurea

1-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-3-methylurea (PubChem CID 67971597) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-3-methylurea.

Molecular Properties

Compound Name1-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-3-methylurea
PubChem CID67971597
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name1-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-3-methylurea
SMILESCNC(=O)NC1CCN(c2cc(-c3nc4ccccc4n3C)c(F)cn2)CC1
InChIInChI=1S/C20H23FN6O/c1-22-20(28)24-13-7-9-27(10-8-13)18-11-14(15(21)12-23-18)19-25-16-5-3-4-6-17(16)26(19)2/h3-6,11-13H,7-10H2,1-2H3,(H2,22,24,28)
InChIKeyGZDWJFHCCQMHET-UHFFFAOYSA-N
XLogP2.67
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-3-methylurea?
The IUPAC name of 1-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-3-methylurea (CID 67971597) is 1-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-3-methylurea.
What is the SMILES notation for 1-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-3-methylurea?
The canonical SMILES for 1-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-3-methylurea is CNC(=O)NC1CCN(c2cc(-c3nc4ccccc4n3C)c(F)cn2)CC1.
What is the InChIKey of 1-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-3-methylurea?
The InChIKey is GZDWJFHCCQMHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O/c1-22-20(28)24-13-7-9-27(10-8-13)18-11-14(15(21)12-23-18)19-25-16-5-3-4-6-17(16)26(19)2/h3-6,11-13H,7-10H2,1-2H3,(H2,22,24,28).
What are the key properties of 1-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-3-methylurea?
1-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-3-methylurea has a molecular weight of 382.44 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-3-methylurea is sourced from PubChem (CID 67971597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).