2,3,5,6,7a-pentamethyl-3aH-benzimidazole

C12H18N2 — CID 123730557

IUPAC2,3,5,6,7a-pentamethyl-3aH-benzimidazole
SMILESCC1=CC2N(C)C(C)=NC2(C)C=C1C
InChIInChI=1S/C12H18N2/c1-8-6-11-12(4,7-9(8)2)13-10(3)14(11)5/h6-7,11H,1-5H3
InChIKeyHCERGTKSKSXVRQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.38
Rot. Bonds

About 2,3,5,6,7a-pentamethyl-3aH-benzimidazole

2,3,5,6,7a-pentamethyl-3aH-benzimidazole (PubChem CID 123730557) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2,3,5,6,7a-pentamethyl-3aH-benzimidazole.

Molecular Properties

Compound Name2,3,5,6,7a-pentamethyl-3aH-benzimidazole
PubChem CID123730557
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2,3,5,6,7a-pentamethyl-3aH-benzimidazole
SMILESCC1=CC2N(C)C(C)=NC2(C)C=C1C
InChIInChI=1S/C12H18N2/c1-8-6-11-12(4,7-9(8)2)13-10(3)14(11)5/h6-7,11H,1-5H3
InChIKeyHCERGTKSKSXVRQ-UHFFFAOYSA-N
XLogP2.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole
CID 134852398
8-Methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole
CID 134863778
7-Methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole
CID 134863862
5-Methyl-8-prop-2-enyl-2,3,5,6-tetrahydroimidazo[1,2-a]pyridine
CID 10797372
2,2,5,6,8-pentamethyl-3H-imidazo[1,2-a]pyridine
CID 20677189
1,2-Dimethyl-3a,7a-dihydrobenzimidazole
CID 57550427
2-Ethyl-1-methyl-3a,7a-dihydrobenzimidazole
CID 59197950
2,3,7a-trimethyl-3aH-benzimidazole
CID 70330879
1-(Cyclopropylmethyl)-2-methyl-3a,7a-dihydrobenzimidazole
CID 89012734
1-Cyclopropyl-2-methyl-3a,7a-dihydrobenzimidazole
CID 89012739
2-Methyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole
CID 89144272
2,3,6-Trimethyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 89146086

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7a-pentamethyl-3aH-benzimidazole?
The IUPAC name of 2,3,5,6,7a-pentamethyl-3aH-benzimidazole (CID 123730557) is 2,3,5,6,7a-pentamethyl-3aH-benzimidazole.
What is the SMILES notation for 2,3,5,6,7a-pentamethyl-3aH-benzimidazole?
The canonical SMILES for 2,3,5,6,7a-pentamethyl-3aH-benzimidazole is CC1=CC2N(C)C(C)=NC2(C)C=C1C.
What is the InChIKey of 2,3,5,6,7a-pentamethyl-3aH-benzimidazole?
The InChIKey is HCERGTKSKSXVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-8-6-11-12(4,7-9(8)2)13-10(3)14(11)5/h6-7,11H,1-5H3.
What are the key properties of 2,3,5,6,7a-pentamethyl-3aH-benzimidazole?
2,3,5,6,7a-pentamethyl-3aH-benzimidazole has a molecular weight of 190.29 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7a-pentamethyl-3aH-benzimidazole is sourced from PubChem (CID 123730557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).