1-methyl-2-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole

C11H18N2 — CID 83381614

IUPAC1-methyl-2-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole
SMILESCC(C)c1nc2c(n1C)CCCC2
InChIInChI=1S/C11H18N2/c1-8(2)11-12-9-6-4-5-7-10(9)13(11)3/h8H,4-7H2,1-3H3
InChIKeyIETVSVPVDUQZSQ-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.42
Rot. Bonds1

About 1-methyl-2-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole

1-methyl-2-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 83381614) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-methyl-2-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-methyl-2-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole
PubChem CID83381614
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-methyl-2-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole
SMILESCC(C)c1nc2c(n1C)CCCC2
InChIInChI=1S/C11H18N2/c1-8(2)11-12-9-6-4-5-7-10(9)13(11)3/h8H,4-7H2,1-3H3
InChIKeyIETVSVPVDUQZSQ-UHFFFAOYSA-N
XLogP2.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-methyl-2-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole (CID 83381614) is 1-methyl-2-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-methyl-2-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-methyl-2-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole is CC(C)c1nc2c(n1C)CCCC2.
What is the InChIKey of 1-methyl-2-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is IETVSVPVDUQZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8(2)11-12-9-6-4-5-7-10(9)13(11)3/h8H,4-7H2,1-3H3.
What are the key properties of 1-methyl-2-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole?
1-methyl-2-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 178.28 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 83381614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).