1-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea

C20H23N5O — CID 71923566

IUPAC1-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)NCc1nccn1CCCc1ccccc1
InChIInChI=1S/C20H23N5O/c26-20(23-15-18-8-4-10-21-14-18)24-16-19-22-11-13-25(19)12-5-9-17-6-2-1-3-7-17/h1-4,6-8,10-11,13-14H,5,9,12,15-16H2,(H2,23,24,26)
InChIKeyWQGHKULXAVGCTI-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.91
Rot. Bonds8

About 1-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea

1-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 71923566) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID71923566
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)NCc1nccn1CCCc1ccccc1
InChIInChI=1S/C20H23N5O/c26-20(23-15-18-8-4-10-21-14-18)24-16-19-22-11-13-25(19)12-5-9-17-6-2-1-3-7-17/h1-4,6-8,10-11,13-14H,5,9,12,15-16H2,(H2,23,24,26)
InChIKeyWQGHKULXAVGCTI-UHFFFAOYSA-N
XLogP2.91
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxyethoxy)-3-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]urea
CID 154766739
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide
CID 71975541
2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride
CID 119898590
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 71975235
3-(2-aminophenyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride
CID 120613454
2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221649
4-amino-3-methoxy-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]butanamide;dihydrochloride
CID 120597418
5,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 166354903
(2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 169192519
1-[[1-(3-phenylpropyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122005640
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide
CID 71975238

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea (CID 71923566) is 1-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)NCc1nccn1CCCc1ccccc1.
What is the InChIKey of 1-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is WQGHKULXAVGCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c26-20(23-15-18-8-4-10-21-14-18)24-16-19-22-11-13-25(19)12-5-9-17-6-2-1-3-7-17/h1-4,6-8,10-11,13-14H,5,9,12,15-16H2,(H2,23,24,26).
What are the key properties of 1-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea?
1-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 349.44 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 71923566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).