1-butyl-3-(1H-imidazol-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea

C15H21N5O — CID 119064187

IUPAC1-butyl-3-(1H-imidazol-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
SMILESCCCCN(Cc1cccnc1)C(=O)NCc1ncc[nH]1
InChIInChI=1S/C15H21N5O/c1-2-3-9-20(12-13-5-4-6-16-10-13)15(21)19-11-14-17-7-8-18-14/h4-8,10H,2-3,9,11-12H2,1H3,(H,17,18)(H,19,21)
InChIKeyHCJPRFHHEQMDFP-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.32
Rot. Bonds7

About 1-butyl-3-(1H-imidazol-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea

1-butyl-3-(1H-imidazol-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea (PubChem CID 119064187) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-butyl-3-(1H-imidazol-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-butyl-3-(1H-imidazol-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
PubChem CID119064187
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-butyl-3-(1H-imidazol-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
SMILESCCCCN(Cc1cccnc1)C(=O)NCc1ncc[nH]1
InChIInChI=1S/C15H21N5O/c1-2-3-9-20(12-13-5-4-6-16-10-13)15(21)19-11-14-17-7-8-18-14/h4-8,10H,2-3,9,11-12H2,1H3,(H,17,18)(H,19,21)
InChIKeyHCJPRFHHEQMDFP-UHFFFAOYSA-N
XLogP2.32
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-3-(2-oxo-1H-pyridin-3-yl)-1-(pyridin-3-ylmethyl)urea
CID 72856995
1-butyl-3-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 122567730
N-[2-[octyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]pyridine-3-carboxamide
CID 42778869
3-butyl-1-methyl-1-(pyridin-3-ylmethyl)urea
CID 78786414
3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
CID 61200236
N-butyl-N'-(pyridin-3-ylmethyl)oxamide
CID 21212895
1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
CID 79153559
3-[ethyl(1H-imidazol-2-ylmethylcarbamoyl)amino]-2-methylpropanoic acid
CID 64524720
N-[[4-[[4-(dipropylamino)butylamino]methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-5-carboxamide
CID 67163976
1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea
CID 78786415
2-[[benzyl(pentyl)carbamoyl]amino]acetic acid
CID 70441420
N-butyl-2-(4-methylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 131929356

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(1H-imidazol-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-butyl-3-(1H-imidazol-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea (CID 119064187) is 1-butyl-3-(1H-imidazol-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-butyl-3-(1H-imidazol-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-butyl-3-(1H-imidazol-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea is CCCCN(Cc1cccnc1)C(=O)NCc1ncc[nH]1.
What is the InChIKey of 1-butyl-3-(1H-imidazol-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea?
The InChIKey is HCJPRFHHEQMDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-2-3-9-20(12-13-5-4-6-16-10-13)15(21)19-11-14-17-7-8-18-14/h4-8,10H,2-3,9,11-12H2,1H3,(H,17,18)(H,19,21).
What are the key properties of 1-butyl-3-(1H-imidazol-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea?
1-butyl-3-(1H-imidazol-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea has a molecular weight of 287.37 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(1H-imidazol-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 119064187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).