1-(cyclobutylmethyl)-2,3-dimethyl-2H-benzimidazole

C14H20N2 — CID 167159789

IUPAC1-(cyclobutylmethyl)-2,3-dimethyl-2H-benzimidazole
SMILESCC1N(C)c2ccccc2N1CC1CCC1
InChIInChI=1S/C14H20N2/c1-11-15(2)13-8-3-4-9-14(13)16(11)10-12-6-5-7-12/h3-4,8-9,11-12H,5-7,10H2,1-2H3
InChIKeyZVLNFPHVYDJBRQ-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.09
Rot. Bonds2

About 1-(cyclobutylmethyl)-2,3-dimethyl-2H-benzimidazole

1-(cyclobutylmethyl)-2,3-dimethyl-2H-benzimidazole (PubChem CID 167159789) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2,3-dimethyl-2H-benzimidazole.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2,3-dimethyl-2H-benzimidazole
PubChem CID167159789
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-(cyclobutylmethyl)-2,3-dimethyl-2H-benzimidazole
SMILESCC1N(C)c2ccccc2N1CC1CCC1
InChIInChI=1S/C14H20N2/c1-11-15(2)13-8-3-4-9-14(13)16(11)10-12-6-5-7-12/h3-4,8-9,11-12H,5-7,10H2,1-2H3
InChIKeyZVLNFPHVYDJBRQ-UHFFFAOYSA-N
XLogP3.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(cyclobutylmethyl)-2,3-dimethyl-2H-benzimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2,3-dimethyl-2H-benzimidazole?
The IUPAC name of 1-(cyclobutylmethyl)-2,3-dimethyl-2H-benzimidazole (CID 167159789) is 1-(cyclobutylmethyl)-2,3-dimethyl-2H-benzimidazole.
What is the SMILES notation for 1-(cyclobutylmethyl)-2,3-dimethyl-2H-benzimidazole?
The canonical SMILES for 1-(cyclobutylmethyl)-2,3-dimethyl-2H-benzimidazole is CC1N(C)c2ccccc2N1CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-2,3-dimethyl-2H-benzimidazole?
The InChIKey is ZVLNFPHVYDJBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-11-15(2)13-8-3-4-9-14(13)16(11)10-12-6-5-7-12/h3-4,8-9,11-12H,5-7,10H2,1-2H3.
What are the key properties of 1-(cyclobutylmethyl)-2,3-dimethyl-2H-benzimidazole?
1-(cyclobutylmethyl)-2,3-dimethyl-2H-benzimidazole has a molecular weight of 216.33 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2,3-dimethyl-2H-benzimidazole is sourced from PubChem (CID 167159789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).