1-(4-cyano-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea

C16H14N6O — CID 21366055

IUPAC1-(4-cyano-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea
SMILESCCNC(=O)Nc1nc2c(C#N)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C16H14N6O/c1-2-19-16(23)22-15-20-13-7-11(10-4-3-5-18-9-10)6-12(8-17)14(13)21-15/h3-7,9H,2H2,1H3,(H3,19,20,21,22,23)
InChIKeyMUWWAOOMSUFGMT-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.64
Rot. Bonds3

About 1-(4-cyano-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea

1-(4-cyano-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea (PubChem CID 21366055) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-(4-cyano-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea.

Molecular Properties

Compound Name1-(4-cyano-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea
PubChem CID21366055
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name1-(4-cyano-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea
SMILESCCNC(=O)Nc1nc2c(C#N)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C16H14N6O/c1-2-19-16(23)22-15-20-13-7-11(10-4-3-5-18-9-10)6-12(8-17)14(13)21-15/h3-7,9H,2H2,1H3,(H3,19,20,21,22,23)
InChIKeyMUWWAOOMSUFGMT-UHFFFAOYSA-N
XLogP2.64
TPSA106.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea?
The IUPAC name of 1-(4-cyano-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea (CID 21366055) is 1-(4-cyano-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea.
What is the SMILES notation for 1-(4-cyano-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea?
The canonical SMILES for 1-(4-cyano-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea is CCNC(=O)Nc1nc2c(C#N)cc(-c3cccnc3)cc2[nH]1.
What is the InChIKey of 1-(4-cyano-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea?
The InChIKey is MUWWAOOMSUFGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c1-2-19-16(23)22-15-20-13-7-11(10-4-3-5-18-9-10)6-12(8-17)14(13)21-15/h3-7,9H,2H2,1H3,(H3,19,20,21,22,23).
What are the key properties of 1-(4-cyano-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea?
1-(4-cyano-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea has a molecular weight of 306.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea is sourced from PubChem (CID 21366055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).