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

C22H25N5O2 — CID 66552584

IUPAC1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-3-ylethyl)urea
SMILESO=C(NCCC1CCCNC1)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C22H25N5O2/c28-20(16-6-2-1-3-7-16)17-8-9-18-19(13-17)26-21(25-18)27-22(29)24-12-10-15-5-4-11-23-14-15/h1-3,6-9,13,15,23H,4-5,10-12,14H2,(H3,24,25,26,27,29)
InChIKeyGKDGNKRGOJPYMM-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.31
Rot. Bonds6

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

1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-3-ylethyl)urea (PubChem CID 66552584) 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-3-ylethyl)urea.

Molecular Properties

Compound Name1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-3-ylethyl)urea
PubChem CID66552584
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-3-ylethyl)urea
SMILESO=C(NCCC1CCCNC1)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C22H25N5O2/c28-20(16-6-2-1-3-7-16)17-8-9-18-19(13-17)26-21(25-18)27-22(29)24-12-10-15-5-4-11-23-14-15/h1-3,6-9,13,15,23H,4-5,10-12,14H2,(H3,24,25,26,27,29)
InChIKeyGKDGNKRGOJPYMM-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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-3-ylethyl)urea?
The IUPAC name of 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-3-ylethyl)urea (CID 66552584) is 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-3-ylethyl)urea.
What is the SMILES notation for 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-3-ylethyl)urea?
The canonical SMILES for 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-3-ylethyl)urea is O=C(NCCC1CCCNC1)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1.
What is the InChIKey of 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-3-ylethyl)urea?
The InChIKey is GKDGNKRGOJPYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-20(16-6-2-1-3-7-16)17-8-9-18-19(13-17)26-21(25-18)27-22(29)24-12-10-15-5-4-11-23-14-15/h1-3,6-9,13,15,23H,4-5,10-12,14H2,(H3,24,25,26,27,29).
What are the key properties of 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-3-ylethyl)urea?
1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-3-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-3-ylethyl)urea is sourced from PubChem (CID 66552584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).