2-(cyclopentylmethyl)-5,6-dimethyl-1H-benzimidazole

C15H20N2 — CID 60977974

IUPAC2-(cyclopentylmethyl)-5,6-dimethyl-1H-benzimidazole
SMILESCc1cc2nc(CC3CCCC3)[nH]c2cc1C
InChIInChI=1S/C15H20N2/c1-10-7-13-14(8-11(10)2)17-15(16-13)9-12-5-3-4-6-12/h7-8,12H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyMKJZCTALNJDBCP-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.91
Rot. Bonds2

About 2-(cyclopentylmethyl)-5,6-dimethyl-1H-benzimidazole

2-(cyclopentylmethyl)-5,6-dimethyl-1H-benzimidazole (PubChem CID 60977974) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-5,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-5,6-dimethyl-1H-benzimidazole
PubChem CID60977974
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-(cyclopentylmethyl)-5,6-dimethyl-1H-benzimidazole
SMILESCc1cc2nc(CC3CCCC3)[nH]c2cc1C
InChIInChI=1S/C15H20N2/c1-10-7-13-14(8-11(10)2)17-15(16-13)9-12-5-3-4-6-12/h7-8,12H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyMKJZCTALNJDBCP-UHFFFAOYSA-N
XLogP3.91
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-5,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(cyclopentylmethyl)-5,6-dimethyl-1H-benzimidazole (CID 60977974) is 2-(cyclopentylmethyl)-5,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(cyclopentylmethyl)-5,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(cyclopentylmethyl)-5,6-dimethyl-1H-benzimidazole is Cc1cc2nc(CC3CCCC3)[nH]c2cc1C.
What is the InChIKey of 2-(cyclopentylmethyl)-5,6-dimethyl-1H-benzimidazole?
The InChIKey is MKJZCTALNJDBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-10-7-13-14(8-11(10)2)17-15(16-13)9-12-5-3-4-6-12/h7-8,12H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of 2-(cyclopentylmethyl)-5,6-dimethyl-1H-benzimidazole?
2-(cyclopentylmethyl)-5,6-dimethyl-1H-benzimidazole has a molecular weight of 228.34 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-5,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 60977974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).