1,3-dimethyl-5-propan-2-yl-2H-benzimidazole

C12H18N2 — CID 134492411

IUPAC1,3-dimethyl-5-propan-2-yl-2H-benzimidazole
SMILESCC(C)c1ccc2c(c1)N(C)CN2C
InChIInChI=1S/C12H18N2/c1-9(2)10-5-6-11-12(7-10)14(4)8-13(11)3/h5-7,9H,8H2,1-4H3
InChIKeyDBOHOCUMFPREKW-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.65
Rot. Bonds1

About 1,3-dimethyl-5-propan-2-yl-2H-benzimidazole

1,3-dimethyl-5-propan-2-yl-2H-benzimidazole (PubChem CID 134492411) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1,3-dimethyl-5-propan-2-yl-2H-benzimidazole.

Molecular Properties

Compound Name1,3-dimethyl-5-propan-2-yl-2H-benzimidazole
PubChem CID134492411
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1,3-dimethyl-5-propan-2-yl-2H-benzimidazole
SMILESCC(C)c1ccc2c(c1)N(C)CN2C
InChIInChI=1S/C12H18N2/c1-9(2)10-5-6-11-12(7-10)14(4)8-13(11)3/h5-7,9H,8H2,1-4H3
InChIKeyDBOHOCUMFPREKW-UHFFFAOYSA-N
XLogP2.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propan-2-yl-2H-benzimidazole?
The IUPAC name of 1,3-dimethyl-5-propan-2-yl-2H-benzimidazole (CID 134492411) is 1,3-dimethyl-5-propan-2-yl-2H-benzimidazole.
What is the SMILES notation for 1,3-dimethyl-5-propan-2-yl-2H-benzimidazole?
The canonical SMILES for 1,3-dimethyl-5-propan-2-yl-2H-benzimidazole is CC(C)c1ccc2c(c1)N(C)CN2C.
What is the InChIKey of 1,3-dimethyl-5-propan-2-yl-2H-benzimidazole?
The InChIKey is DBOHOCUMFPREKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9(2)10-5-6-11-12(7-10)14(4)8-13(11)3/h5-7,9H,8H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-propan-2-yl-2H-benzimidazole?
1,3-dimethyl-5-propan-2-yl-2H-benzimidazole has a molecular weight of 190.29 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propan-2-yl-2H-benzimidazole is sourced from PubChem (CID 134492411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).