1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-3-propylurea

C15H20N4O — CID 110747246

IUPAC1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1nc2ccccc2n1C1CC1
InChIInChI=1S/C15H20N4O/c1-2-9-16-15(20)17-10-14-18-12-5-3-4-6-13(12)19(14)11-7-8-11/h3-6,11H,2,7-10H2,1H3,(H2,16,17,20)
InChIKeyZDUXAHRJFIJLRT-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.58
Rot. Bonds5

About 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-3-propylurea

1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-3-propylurea (PubChem CID 110747246) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-3-propylurea.

Molecular Properties

Compound Name1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-3-propylurea
PubChem CID110747246
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1nc2ccccc2n1C1CC1
InChIInChI=1S/C15H20N4O/c1-2-9-16-15(20)17-10-14-18-12-5-3-4-6-13(12)19(14)11-7-8-11/h3-6,11H,2,7-10H2,1H3,(H2,16,17,20)
InChIKeyZDUXAHRJFIJLRT-UHFFFAOYSA-N
XLogP2.58
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-3-propylurea?
The IUPAC name of 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-3-propylurea (CID 110747246) is 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-3-propylurea.
What is the SMILES notation for 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-3-propylurea?
The canonical SMILES for 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-3-propylurea is CCCNC(=O)NCc1nc2ccccc2n1C1CC1.
What is the InChIKey of 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-3-propylurea?
The InChIKey is ZDUXAHRJFIJLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-9-16-15(20)17-10-14-18-12-5-3-4-6-13(12)19(14)11-7-8-11/h3-6,11H,2,7-10H2,1H3,(H2,16,17,20).
What are the key properties of 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-3-propylurea?
1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-3-propylurea has a molecular weight of 272.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-3-propylurea is sourced from PubChem (CID 110747246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).