1-(1H-benzimidazol-2-ylmethyl)-3-propylurea

C12H16N4O — CID 47120671

IUPAC1-(1H-benzimidazol-2-ylmethyl)-3-propylurea
SMILESCCCNC(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C12H16N4O/c1-2-7-13-12(17)14-8-11-15-9-5-3-4-6-10(9)16-11/h3-6H,2,7-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyRIQIFQJHZPHLFA-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.77
Rot. Bonds4

About 1-(1H-benzimidazol-2-ylmethyl)-3-propylurea

1-(1H-benzimidazol-2-ylmethyl)-3-propylurea (PubChem CID 47120671) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-ylmethyl)-3-propylurea.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-ylmethyl)-3-propylurea
PubChem CID47120671
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-(1H-benzimidazol-2-ylmethyl)-3-propylurea
SMILESCCCNC(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C12H16N4O/c1-2-7-13-12(17)14-8-11-15-9-5-3-4-6-10(9)16-11/h3-6H,2,7-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyRIQIFQJHZPHLFA-UHFFFAOYSA-N
XLogP1.77
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate
CID 18590006
3-(1H-benzimidazol-2-ylmethyl)-1,1-diethylurea
CID 113223965
(E)-N-(1H-benzimidazol-2-ylmethyl)but-2-enamide
CID 71627908
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158
1-(1H-benzimidazol-2-ylmethyl)-3-(3-ethylphenyl)urea
CID 3844150
N-(1H-benzimidazol-2-ylmethyl)-2-methylsulfonylpropanamide
CID 112684952
2-(1H-benzimidazol-2-yl)-N-butylacetamide
CID 3852846
N-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide
CID 51205056
3-oxo-N-propyl-4H-quinoxaline-2-carboxamide
CID 143678915
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
CID 103908650
2-(1H-benzimidazol-2-yl)-N-pentylacetamide
CID 67833301

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-ylmethyl)-3-propylurea?
The IUPAC name of 1-(1H-benzimidazol-2-ylmethyl)-3-propylurea (CID 47120671) is 1-(1H-benzimidazol-2-ylmethyl)-3-propylurea.
What is the SMILES notation for 1-(1H-benzimidazol-2-ylmethyl)-3-propylurea?
The canonical SMILES for 1-(1H-benzimidazol-2-ylmethyl)-3-propylurea is CCCNC(=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-ylmethyl)-3-propylurea?
The InChIKey is RIQIFQJHZPHLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-7-13-12(17)14-8-11-15-9-5-3-4-6-10(9)16-11/h3-6H,2,7-8H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 1-(1H-benzimidazol-2-ylmethyl)-3-propylurea?
1-(1H-benzimidazol-2-ylmethyl)-3-propylurea has a molecular weight of 232.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-ylmethyl)-3-propylurea is sourced from PubChem (CID 47120671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).