1-[(1-methylimidazol-2-yl)methyl]-1-propyl-3-[2-(2-pyridin-2-ylethyl)phenyl]urea

C22H27N5O — CID 72878655

IUPAC1-[(1-methylimidazol-2-yl)methyl]-1-propyl-3-[2-(2-pyridin-2-ylethyl)phenyl]urea
SMILESCCCN(Cc1nccn1C)C(=O)Nc1ccccc1CCc1ccccn1
InChIInChI=1S/C22H27N5O/c1-3-15-27(17-21-24-14-16-26(21)2)22(28)25-20-10-5-4-8-18(20)11-12-19-9-6-7-13-23-19/h4-10,13-14,16H,3,11-12,15,17H2,1-2H3,(H,25,28)
InChIKeyDODQUGYCJJJNLC-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.04
Rot. Bonds8

About 1-[(1-methylimidazol-2-yl)methyl]-1-propyl-3-[2-(2-pyridin-2-ylethyl)phenyl]urea

1-[(1-methylimidazol-2-yl)methyl]-1-propyl-3-[2-(2-pyridin-2-ylethyl)phenyl]urea (PubChem CID 72878655) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)methyl]-1-propyl-3-[2-(2-pyridin-2-ylethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)methyl]-1-propyl-3-[2-(2-pyridin-2-ylethyl)phenyl]urea
PubChem CID72878655
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name1-[(1-methylimidazol-2-yl)methyl]-1-propyl-3-[2-(2-pyridin-2-ylethyl)phenyl]urea
SMILESCCCN(Cc1nccn1C)C(=O)Nc1ccccc1CCc1ccccn1
InChIInChI=1S/C22H27N5O/c1-3-15-27(17-21-24-14-16-26(21)2)22(28)25-20-10-5-4-8-18(20)11-12-19-9-6-7-13-23-19/h4-10,13-14,16H,3,11-12,15,17H2,1-2H3,(H,25,28)
InChIKeyDODQUGYCJJJNLC-UHFFFAOYSA-N
XLogP4.04
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methylimidazol-2-yl)methyl]-3-(2-propan-2-ylsulfanylphenyl)-1-propylurea
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3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
CID 72916605
1-[(1-methylimidazol-2-yl)methyl]-3-(2-methyl-5-methylsulfonylphenyl)-1-propylurea
CID 72862791
1-[(1-methylimidazol-2-yl)methyl]-3-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-1-propylurea
CID 125155347
3-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
CID 72849632
1-[(1-methylimidazol-2-yl)methyl]-3-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-1-propylurea
CID 125441423
1-[(1-methylimidazol-2-yl)methyl]-3-(2-methyl-1-pyridin-3-ylpropyl)-1-propylurea
CID 122563927
1-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrrolo[2,3-b]pyridine-6-carboxamide
CID 157011985
N,N-dipropyl-2-pyridin-2-ylacetamide
CID 110696960
1,1-diethyl-3-(2-propylphenyl)urea
CID 113233204
3-[1-(4-ethoxyphenyl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-1-propyl-3-[2-(2-pyridin-2-ylethyl)phenyl]urea?
The IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-1-propyl-3-[2-(2-pyridin-2-ylethyl)phenyl]urea (CID 72878655) is 1-[(1-methylimidazol-2-yl)methyl]-1-propyl-3-[2-(2-pyridin-2-ylethyl)phenyl]urea.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)methyl]-1-propyl-3-[2-(2-pyridin-2-ylethyl)phenyl]urea?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)methyl]-1-propyl-3-[2-(2-pyridin-2-ylethyl)phenyl]urea is CCCN(Cc1nccn1C)C(=O)Nc1ccccc1CCc1ccccn1.
What is the InChIKey of 1-[(1-methylimidazol-2-yl)methyl]-1-propyl-3-[2-(2-pyridin-2-ylethyl)phenyl]urea?
The InChIKey is DODQUGYCJJJNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-3-15-27(17-21-24-14-16-26(21)2)22(28)25-20-10-5-4-8-18(20)11-12-19-9-6-7-13-23-19/h4-10,13-14,16H,3,11-12,15,17H2,1-2H3,(H,25,28).
What are the key properties of 1-[(1-methylimidazol-2-yl)methyl]-1-propyl-3-[2-(2-pyridin-2-ylethyl)phenyl]urea?
1-[(1-methylimidazol-2-yl)methyl]-1-propyl-3-[2-(2-pyridin-2-ylethyl)phenyl]urea has a molecular weight of 377.49 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-2-yl)methyl]-1-propyl-3-[2-(2-pyridin-2-ylethyl)phenyl]urea is sourced from PubChem (CID 72878655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).