1-ethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea

C18H17N7O — CID 11314018

IUPAC1-ethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C18H17N7O/c1-2-20-18(26)24-17-22-14-9-13(12-5-3-6-19-11-12)10-15(16(14)23-17)25-8-4-7-21-25/h3-11H,2H2,1H3,(H3,20,22,23,24,26)
InChIKeyDIIRMLRBGBCXMK-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.95
Rot. Bonds4

About 1-ethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea

1-ethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea (PubChem CID 11314018) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-ethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
PubChem CID11314018
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name1-ethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C18H17N7O/c1-2-20-18(26)24-17-22-14-9-13(12-5-3-6-19-11-12)10-15(16(14)23-17)25-8-4-7-21-25/h3-11H,2H2,1H3,(H3,20,22,23,24,26)
InChIKeyDIIRMLRBGBCXMK-UHFFFAOYSA-N
XLogP2.95
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.95
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-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The IUPAC name of 1-ethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea (CID 11314018) is 1-ethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea is CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cccnc3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The InChIKey is DIIRMLRBGBCXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-2-20-18(26)24-17-22-14-9-13(12-5-3-6-19-11-12)10-15(16(14)23-17)25-8-4-7-21-25/h3-11H,2H2,1H3,(H3,20,22,23,24,26).
What are the key properties of 1-ethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
1-ethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea has a molecular weight of 347.38 g/mol, XLogP of 2.95, 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-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea is sourced from PubChem (CID 11314018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).