2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine

C13H23N3 — CID 82947581

IUPAC2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
SMILESCC1Cc2[nH]c(CCN(C)C)nc2C(C)C1
InChIInChI=1S/C13H23N3/c1-9-7-10(2)13-11(8-9)14-12(15-13)5-6-16(3)4/h9-10H,5-8H2,1-4H3,(H,14,15)
InChIKeyVQRLEHFAXUUNDM-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.20
Rot. Bonds3

About 2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine

2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine (PubChem CID 82947581) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
PubChem CID82947581
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
SMILESCC1Cc2[nH]c(CCN(C)C)nc2C(C)C1
InChIInChI=1S/C13H23N3/c1-9-7-10(2)13-11(8-9)14-12(15-13)5-6-16(3)4/h9-10H,5-8H2,1-4H3,(H,14,15)
InChIKeyVQRLEHFAXUUNDM-UHFFFAOYSA-N
XLogP2.20
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine (CID 82947581) is 2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine is CC1Cc2[nH]c(CCN(C)C)nc2C(C)C1.
What is the InChIKey of 2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine?
The InChIKey is VQRLEHFAXUUNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-9-7-10(2)13-11(8-9)14-12(15-13)5-6-16(3)4/h9-10H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine?
2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 82947581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).