3-benzyl-1-cyclopentyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]urea

C24H30N4O — CID 1454842

IUPAC3-benzyl-1-cyclopentyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]urea
SMILESCc1cc2nc(CCN(C(=O)NCc3ccccc3)C3CCCC3)[nH]c2cc1C
InChIInChI=1S/C24H30N4O/c1-17-14-21-22(15-18(17)2)27-23(26-21)12-13-28(20-10-6-7-11-20)24(29)25-16-19-8-4-3-5-9-19/h3-5,8-9,14-15,20H,6-7,10-13,16H2,1-2H3,(H,25,29)(H,26,27)
InChIKeySFOSARIBPOBGFK-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.88
Rot. Bonds6

About 3-benzyl-1-cyclopentyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]urea

3-benzyl-1-cyclopentyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]urea (PubChem CID 1454842) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 3-benzyl-1-cyclopentyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name3-benzyl-1-cyclopentyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]urea
PubChem CID1454842
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name3-benzyl-1-cyclopentyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]urea
SMILESCc1cc2nc(CCN(C(=O)NCc3ccccc3)C3CCCC3)[nH]c2cc1C
InChIInChI=1S/C24H30N4O/c1-17-14-21-22(15-18(17)2)27-23(26-21)12-13-28(20-10-6-7-11-20)24(29)25-16-19-8-4-3-5-9-19/h3-5,8-9,14-15,20H,6-7,10-13,16H2,1-2H3,(H,25,29)(H,26,27)
InChIKeySFOSARIBPOBGFK-UHFFFAOYSA-N
XLogP4.88
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-cyclopentyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]urea?
The IUPAC name of 3-benzyl-1-cyclopentyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]urea (CID 1454842) is 3-benzyl-1-cyclopentyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]urea.
What is the SMILES notation for 3-benzyl-1-cyclopentyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]urea?
The canonical SMILES for 3-benzyl-1-cyclopentyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]urea is Cc1cc2nc(CCN(C(=O)NCc3ccccc3)C3CCCC3)[nH]c2cc1C.
What is the InChIKey of 3-benzyl-1-cyclopentyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]urea?
The InChIKey is SFOSARIBPOBGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-17-14-21-22(15-18(17)2)27-23(26-21)12-13-28(20-10-6-7-11-20)24(29)25-16-19-8-4-3-5-9-19/h3-5,8-9,14-15,20H,6-7,10-13,16H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of 3-benzyl-1-cyclopentyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]urea?
3-benzyl-1-cyclopentyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]urea has a molecular weight of 390.53 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-cyclopentyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]urea is sourced from PubChem (CID 1454842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).