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

C18H17N7O2 — CID 11360485

IUPAC1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3nnc(C)o3)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C18H17N7O2/c1-3-20-18(26)23-17-21-14-8-12(11-5-4-6-19-9-11)7-13(15(14)22-17)16-25-24-10(2)27-16/h4-9H,3H2,1-2H3,(H3,20,21,22,23,26)
InChIKeyNEOFKXBSRBJWAM-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.12
Rot. Bonds4

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

1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea (PubChem CID 11360485) has the molecular formula C18H17N7O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
PubChem CID11360485
Molecular FormulaC18H17N7O2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3nnc(C)o3)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C18H17N7O2/c1-3-20-18(26)23-17-21-14-8-12(11-5-4-6-19-9-11)7-13(15(14)22-17)16-25-24-10(2)27-16/h4-9H,3H2,1-2H3,(H3,20,21,22,23,26)
InChIKeyNEOFKXBSRBJWAM-UHFFFAOYSA-N
XLogP3.12
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea (CID 11360485) is 1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2c(-c3nnc(C)o3)cc(-c3cccnc3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?
The InChIKey is NEOFKXBSRBJWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2/c1-3-20-18(26)23-17-21-14-8-12(11-5-4-6-19-9-11)7-13(15(14)22-17)16-25-24-10(2)27-16/h4-9H,3H2,1-2H3,(H3,20,21,22,23,26).
What are the key properties of 1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?
1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea has a molecular weight of 363.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 11360485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).