1-(4-methoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]urea

C22H27N5O2 — CID 39735359

IUPAC1-(4-methoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]urea
SMILESCOc1ccc(NC(=O)Nc2nc3ccccc3n2CCN2CCCCC2)cc1
InChIInChI=1S/C22H27N5O2/c1-29-18-11-9-17(10-12-18)23-22(28)25-21-24-19-7-3-4-8-20(19)27(21)16-15-26-13-5-2-6-14-26/h3-4,7-12H,2,5-6,13-16H2,1H3,(H2,23,24,25,28)
InChIKeyZWWRCSBSDIQHOU-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.17
Rot. Bonds6

About 1-(4-methoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]urea

1-(4-methoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]urea (PubChem CID 39735359) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]urea
PubChem CID39735359
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name1-(4-methoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]urea
SMILESCOc1ccc(NC(=O)Nc2nc3ccccc3n2CCN2CCCCC2)cc1
InChIInChI=1S/C22H27N5O2/c1-29-18-11-9-17(10-12-18)23-22(28)25-21-24-19-7-3-4-8-20(19)27(21)16-15-26-13-5-2-6-14-26/h3-4,7-12H,2,5-6,13-16H2,1H3,(H2,23,24,25,28)
InChIKeyZWWRCSBSDIQHOU-UHFFFAOYSA-N
XLogP4.17
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_imidazole(1)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)urea
CID 35280532
N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyridine-4-carboxamide
CID 19576141
2,5-dimethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-3-carboxamide
CID 35524627
2,6-difluoro-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]benzamide
CID 17374527
3-ethoxy-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]benzamide
CID 35592391
2-fluoro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide
CID 118725742
N-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine
CID 82359477
3-methoxy-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 91956377
1-(1-ethylbenzimidazol-2-yl)-3-(3-methoxyphenyl)urea
CID 35279970
N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide
CID 118725842
2-(4-methoxyphenyl)-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;hydrochloride
CID 126476325
2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride
CID 53313615

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]urea (CID 39735359) is 1-(4-methoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]urea is COc1ccc(NC(=O)Nc2nc3ccccc3n2CCN2CCCCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]urea?
The InChIKey is ZWWRCSBSDIQHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-29-18-11-9-17(10-12-18)23-22(28)25-21-24-19-7-3-4-8-20(19)27(21)16-15-26-13-5-2-6-14-26/h3-4,7-12H,2,5-6,13-16H2,1H3,(H2,23,24,25,28).
What are the key properties of 1-(4-methoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]urea?
1-(4-methoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]urea has a molecular weight of 393.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]urea is sourced from PubChem (CID 39735359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).