N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine

C12H17N3 — CID 45040735

IUPACN,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
SMILESCc1ccc2nc(CCN(C)C)[nH]c2c1
InChIInChI=1S/C12H17N3/c1-9-4-5-10-11(8-9)14-12(13-10)6-7-15(2)3/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKeyMNGDPZPGHOCEKY-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.98
Rot. Bonds3

About N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine

N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine (PubChem CID 45040735) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
PubChem CID45040735
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
SMILESCc1ccc2nc(CCN(C)C)[nH]c2c1
InChIInChI=1S/C12H17N3/c1-9-4-5-10-11(8-9)14-12(13-10)6-7-15(2)3/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKeyMNGDPZPGHOCEKY-UHFFFAOYSA-N
XLogP1.98
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
CID 64725128
2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 19195701
N',N'-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propane-1,3-diamine
CID 53274322
N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63693003
6-methyl-2-(6-phenylhexyl)-1H-benzimidazole
CID 139625761
1-[4-[[ethyl-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]phenyl]ethanone
CID 46996454
N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991418
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclopentanamine
CID 82336914
2-(2,5-dioxoimidazolidin-1-yl)-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 91766350
N-ethyl-3-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]propanamide
CID 91831683
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336932
ethane;2,3,5-trimethyl-6-[3-(6-methyl-1H-benzimidazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione
CID 144710545

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine (CID 45040735) is N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine is Cc1ccc2nc(CCN(C)C)[nH]c2c1.
What is the InChIKey of N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine?
The InChIKey is MNGDPZPGHOCEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-9-4-5-10-11(8-9)14-12(13-10)6-7-15(2)3/h4-5,8H,6-7H2,1-3H3,(H,13,14).
What are the key properties of N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine?
N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine has a molecular weight of 203.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine is sourced from PubChem (CID 45040735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).