3-cyclohexyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)urea

C24H31N5O — CID 3615223

About 3-cyclohexyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)urea

3-cyclohexyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)urea (PubChem CID 3615223) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

• Compound Name: 3-cyclohexyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)urea
• PubChem CID: 3615223
• Molecular Formula: C24H31N5O
• Molecular Weight: 405.55 g/mol
• Exact Mass: 405.25
• IUPAC Name: 3-cyclohexyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)urea
• SMILES: Cc1cc2nc(CCN(Cc3cccnc3)C(=O)NC3CCCCC3)[nH]c2cc1C
• InChI: InChI=1S/C24H31N5O/c1-17-13-21-22(14-18(17)2)28-23(27-21)10-12-29(16-19-7-6-11-25-15-19)24(30)26-20-8-4-3-5-9-20/h6-7,11,13-15,20H,3-5,8-10,12,16H2,1-2H3,(H,26,30)(H,27,28)
• InChIKey: VIGUWLWFWWUWIS-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.55
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)urea?

The IUPAC name of 3-cyclohexyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)urea (CID 3615223) is 3-cyclohexyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)urea.

What is the SMILES notation for 3-cyclohexyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)urea?

The canonical SMILES for 3-cyclohexyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)urea is Cc1cc2nc(CCN(Cc3cccnc3)C(=O)NC3CCCCC3)[nH]c2cc1C.

What is the InChIKey of 3-cyclohexyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)urea?

The InChIKey is VIGUWLWFWWUWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-17-13-21-22(14-18(17)2)28-23(27-21)10-12-29(16-19-7-6-11-25-15-19)24(30)26-20-8-4-3-5-9-20/h6-7,11,13-15,20H,3-5,8-10,12,16H2,1-2H3,(H,26,30)(H,27,28).

What are the key properties of 3-cyclohexyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)urea?

3-cyclohexyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)urea has a molecular weight of 405.55 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 3615223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).