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

C16H17N5O — CID 21365990

IUPAC1-ethyl-3-(6-methyl-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)c(C)cc2[nH]1
InChIInChI=1S/C16H17N5O/c1-3-18-16(22)21-15-19-13-7-10(2)12(8-14(13)20-15)11-5-4-6-17-9-11/h4-9H,3H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyPCWGVOYQPPLYQR-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.07
Rot. Bonds3

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

1-ethyl-3-(6-methyl-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea (PubChem CID 21365990) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-ethyl-3-(6-methyl-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(6-methyl-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea
PubChem CID21365990
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name1-ethyl-3-(6-methyl-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)c(C)cc2[nH]1
InChIInChI=1S/C16H17N5O/c1-3-18-16(22)21-15-19-13-7-10(2)12(8-14(13)20-15)11-5-4-6-17-9-11/h4-9H,3H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyPCWGVOYQPPLYQR-UHFFFAOYSA-N
XLogP3.07
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(6-methyl-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The IUPAC name of 1-ethyl-3-(6-methyl-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea (CID 21365990) is 1-ethyl-3-(6-methyl-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(6-methyl-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(6-methyl-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea is CCNC(=O)Nc1nc2cc(-c3cccnc3)c(C)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-(6-methyl-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The InChIKey is PCWGVOYQPPLYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-3-18-16(22)21-15-19-13-7-10(2)12(8-14(13)20-15)11-5-4-6-17-9-11/h4-9H,3H2,1-2H3,(H3,18,19,20,21,22).
What are the key properties of 1-ethyl-3-(6-methyl-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
1-ethyl-3-(6-methyl-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea has a molecular weight of 295.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(6-methyl-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea is sourced from PubChem (CID 21365990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).