1-ethyl-3-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea

C19H18N6O2 — CID 11164342

IUPAC1-ethyl-3-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3ncc(C)o3)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C19H18N6O2/c1-3-21-19(26)25-18-23-15-8-13(12-5-4-6-20-10-12)7-14(16(15)24-18)17-22-9-11(2)27-17/h4-10H,3H2,1-2H3,(H3,21,23,24,25,26)
InChIKeyKGAILELFAJNDDH-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.73
Rot. Bonds4

About 1-ethyl-3-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea

1-ethyl-3-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea (PubChem CID 11164342) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 1-ethyl-3-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
PubChem CID11164342
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name1-ethyl-3-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3ncc(C)o3)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C19H18N6O2/c1-3-21-19(26)25-18-23-15-8-13(12-5-4-6-20-10-12)7-14(16(15)24-18)17-22-9-11(2)27-17/h4-10H,3H2,1-2H3,(H3,21,23,24,25,26)
InChIKeyKGAILELFAJNDDH-UHFFFAOYSA-N
XLogP3.73
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-ethyl-3-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea (CID 11164342) is 1-ethyl-3-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2c(-c3ncc(C)o3)cc(-c3cccnc3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?
The InChIKey is KGAILELFAJNDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-3-21-19(26)25-18-23-15-8-13(12-5-4-6-20-10-12)7-14(16(15)24-18)17-22-9-11(2)27-17/h4-10H,3H2,1-2H3,(H3,21,23,24,25,26).
What are the key properties of 1-ethyl-3-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?
1-ethyl-3-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea has a molecular weight of 362.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 11164342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).