3-(3H-benzimidazol-5-yl)-1-butyl-1-propylurea

C15H22N4O — CID 108885891

IUPAC3-(3H-benzimidazol-5-yl)-1-butyl-1-propylurea
SMILESCCCCN(CCC)C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C15H22N4O/c1-3-5-9-19(8-4-2)15(20)18-12-6-7-13-14(10-12)17-11-16-13/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,16,17)(H,18,20)
InChIKeyVFQVPZKWWWOQPF-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.61
Rot. Bonds6

About 3-(3H-benzimidazol-5-yl)-1-butyl-1-propylurea

3-(3H-benzimidazol-5-yl)-1-butyl-1-propylurea (PubChem CID 108885891) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-1-butyl-1-propylurea.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-1-butyl-1-propylurea
PubChem CID108885891
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-(3H-benzimidazol-5-yl)-1-butyl-1-propylurea
SMILESCCCCN(CCC)C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C15H22N4O/c1-3-5-9-19(8-4-2)15(20)18-12-6-7-13-14(10-12)17-11-16-13/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,16,17)(H,18,20)
InChIKeyVFQVPZKWWWOQPF-UHFFFAOYSA-N
XLogP3.61
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-1-butyl-1-propylurea?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-1-butyl-1-propylurea (CID 108885891) is 3-(3H-benzimidazol-5-yl)-1-butyl-1-propylurea.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-1-butyl-1-propylurea?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-1-butyl-1-propylurea is CCCCN(CCC)C(=O)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-1-butyl-1-propylurea?
The InChIKey is VFQVPZKWWWOQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-5-9-19(8-4-2)15(20)18-12-6-7-13-14(10-12)17-11-16-13/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,16,17)(H,18,20).
What are the key properties of 3-(3H-benzimidazol-5-yl)-1-butyl-1-propylurea?
3-(3H-benzimidazol-5-yl)-1-butyl-1-propylurea has a molecular weight of 274.37 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-1-butyl-1-propylurea is sourced from PubChem (CID 108885891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).