1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-4-ylethyl)urea

C22H25N5O2 — CID 66552583

IUPAC1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-4-ylethyl)urea
SMILESO=C(NCCC1CCNCC1)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C22H25N5O2/c28-20(16-4-2-1-3-5-16)17-6-7-18-19(14-17)26-21(25-18)27-22(29)24-13-10-15-8-11-23-12-9-15/h1-7,14-15,23H,8-13H2,(H3,24,25,26,27,29)
InChIKeyRMKJKBCWXWSHSS-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.31
Rot. Bonds6

About 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-4-ylethyl)urea

1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-4-ylethyl)urea (PubChem CID 66552583) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-4-ylethyl)urea
PubChem CID66552583
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-4-ylethyl)urea
SMILESO=C(NCCC1CCNCC1)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C22H25N5O2/c28-20(16-4-2-1-3-5-16)17-6-7-18-19(14-17)26-21(25-18)27-22(29)24-13-10-15-8-11-23-12-9-15/h1-7,14-15,23H,8-13H2,(H3,24,25,26,27,29)
InChIKeyRMKJKBCWXWSHSS-UHFFFAOYSA-N
XLogP3.31
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-4-ylethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1H-benzimidazol-2-yl)-2-piperidin-4-ylacetamide
CID 119669181
4-[2-[[6-(2,6-dichlorophenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoylamino]ethyl]piperidine-1-carboxylic acid
CID 87123377
N-(5-benzoyl-3H-indol-2-yl)-4-piperidin-4-ylbutanamide
CID 157449429
2-methoxy-2-oxoacetic acid;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate
CID 138679261
N-(2-piperidin-4-ylethyl)-1H-indazole-5-carboxamide
CID 22934092
cyclopropylmethyl 2-(cyclopropylmethoxycarbonylamino)-3H-benzimidazole-5-carboxylate
CID 15723785
2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid
CID 13043986
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
2-(2-acetamidoethylamino)-3H-benzimidazole-5-carboxylic acid
CID 82563089
(2-ethyl-3H-benzimidazol-5-yl)-piperidin-4-ylmethanone
CID 82499869
N-(1H-benzimidazol-2-yl)-3-cyclopentylpropanamide
CID 4659981
[2-(2-piperidin-4-ylethylcarbamoylamino)-1,3-benzothiazol-6-yl] 2,6-dichlorobenzenesulfonate
CID 87123372

Frequently Asked Questions

What is the IUPAC name of 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-4-ylethyl)urea?
The IUPAC name of 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-4-ylethyl)urea (CID 66552583) is 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-4-ylethyl)urea.
What is the SMILES notation for 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-4-ylethyl)urea?
The canonical SMILES for 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-4-ylethyl)urea is O=C(NCCC1CCNCC1)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1.
What is the InChIKey of 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-4-ylethyl)urea?
The InChIKey is RMKJKBCWXWSHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-20(16-4-2-1-3-5-16)17-6-7-18-19(14-17)26-21(25-18)27-22(29)24-13-10-15-8-11-23-12-9-15/h1-7,14-15,23H,8-13H2,(H3,24,25,26,27,29).
What are the key properties of 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-4-ylethyl)urea?
1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-4-ylethyl)urea has a molecular weight of 391.48 g/mol, XLogP of 3.31, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-4-ylethyl)urea is sourced from PubChem (CID 66552583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).