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

C14H14N6O — CID 24971304

IUPAC1-ethyl-3-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2ccc(-c3cncnc3)cc2[nH]1
InChIInChI=1S/C14H14N6O/c1-2-17-14(21)20-13-18-11-4-3-9(5-12(11)19-13)10-6-15-8-16-7-10/h3-8H,2H2,1H3,(H3,17,18,19,20,21)
InChIKeyJNNGDPHORQARNC-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.16
Rot. Bonds3

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

1-ethyl-3-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea (PubChem CID 24971304) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-ethyl-3-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea
PubChem CID24971304
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name1-ethyl-3-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2ccc(-c3cncnc3)cc2[nH]1
InChIInChI=1S/C14H14N6O/c1-2-17-14(21)20-13-18-11-4-3-9(5-12(11)19-13)10-6-15-8-16-7-10/h3-8H,2H2,1H3,(H3,17,18,19,20,21)
InChIKeyJNNGDPHORQARNC-UHFFFAOYSA-N
XLogP2.16
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea?
The IUPAC name of 1-ethyl-3-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea (CID 24971304) is 1-ethyl-3-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea is CCNC(=O)Nc1nc2ccc(-c3cncnc3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea?
The InChIKey is JNNGDPHORQARNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-2-17-14(21)20-13-18-11-4-3-9(5-12(11)19-13)10-6-15-8-16-7-10/h3-8H,2H2,1H3,(H3,17,18,19,20,21).
What are the key properties of 1-ethyl-3-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea?
1-ethyl-3-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea has a molecular weight of 282.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea is sourced from PubChem (CID 24971304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).