1-ethyl-3-(5-piperidin-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea

C20H24N6O — CID 21365983

IUPAC1-ethyl-3-(5-piperidin-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2cc(N3CCCCC3)c(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C20H24N6O/c1-2-22-20(27)25-19-23-16-11-15(14-7-6-8-21-13-14)18(12-17(16)24-19)26-9-4-3-5-10-26/h6-8,11-13H,2-5,9-10H2,1H3,(H3,22,23,24,25,27)
InChIKeyOTZGDJFOSDFRBQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.76
Rot. Bonds4

About 1-ethyl-3-(5-piperidin-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea

1-ethyl-3-(5-piperidin-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea (PubChem CID 21365983) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-ethyl-3-(5-piperidin-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(5-piperidin-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
PubChem CID21365983
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name1-ethyl-3-(5-piperidin-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2cc(N3CCCCC3)c(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C20H24N6O/c1-2-22-20(27)25-19-23-16-11-15(14-7-6-8-21-13-14)18(12-17(16)24-19)26-9-4-3-5-10-26/h6-8,11-13H,2-5,9-10H2,1H3,(H3,22,23,24,25,27)
InChIKeyOTZGDJFOSDFRBQ-UHFFFAOYSA-N
XLogP3.76
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5-piperidin-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The IUPAC name of 1-ethyl-3-(5-piperidin-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea (CID 21365983) is 1-ethyl-3-(5-piperidin-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(5-piperidin-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(5-piperidin-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea is CCNC(=O)Nc1nc2cc(N3CCCCC3)c(-c3cccnc3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-(5-piperidin-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The InChIKey is OTZGDJFOSDFRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-2-22-20(27)25-19-23-16-11-15(14-7-6-8-21-13-14)18(12-17(16)24-19)26-9-4-3-5-10-26/h6-8,11-13H,2-5,9-10H2,1H3,(H3,22,23,24,25,27).
What are the key properties of 1-ethyl-3-(5-piperidin-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
1-ethyl-3-(5-piperidin-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea has a molecular weight of 364.45 g/mol, XLogP of 3.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5-piperidin-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea is sourced from PubChem (CID 21365983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).