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

C16H17N5O2 — CID 21365988

IUPAC1-ethyl-3-(5-methoxy-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2cc(OC)c(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C16H17N5O2/c1-3-18-16(22)21-15-19-12-7-11(10-5-4-6-17-9-10)14(23-2)8-13(12)20-15/h4-9H,3H2,1-2H3,(H3,18,19,20,21,22)
InChIKeySIJUCHAWQHDVQI-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.77
Rot. Bonds4

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

1-ethyl-3-(5-methoxy-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea (PubChem CID 21365988) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 1-ethyl-3-(5-methoxy-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(5-methoxy-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
PubChem CID21365988
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name1-ethyl-3-(5-methoxy-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2cc(OC)c(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C16H17N5O2/c1-3-18-16(22)21-15-19-12-7-11(10-5-4-6-17-9-10)14(23-2)8-13(12)20-15/h4-9H,3H2,1-2H3,(H3,18,19,20,21,22)
InChIKeySIJUCHAWQHDVQI-UHFFFAOYSA-N
XLogP2.77
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5-methoxy-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The IUPAC name of 1-ethyl-3-(5-methoxy-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea (CID 21365988) is 1-ethyl-3-(5-methoxy-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(5-methoxy-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(5-methoxy-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea is CCNC(=O)Nc1nc2cc(OC)c(-c3cccnc3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-(5-methoxy-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The InChIKey is SIJUCHAWQHDVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-3-18-16(22)21-15-19-12-7-11(10-5-4-6-17-9-10)14(23-2)8-13(12)20-15/h4-9H,3H2,1-2H3,(H3,18,19,20,21,22).
What are the key properties of 1-ethyl-3-(5-methoxy-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
1-ethyl-3-(5-methoxy-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea has a molecular weight of 311.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5-methoxy-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea is sourced from PubChem (CID 21365988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).