N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane

C14H23N3 — CID 144946605

IUPACN,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane
SMILESCC.Cc1nc2ccccc2n1CCN(C)C
InChIInChI=1S/C12H17N3.C2H6/c1-10-13-11-6-4-5-7-12(11)15(10)9-8-14(2)3;1-2/h4-7H,8-9H2,1-3H3;1-2H3
InChIKeyFJVPJYGBWGHQOL-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.93
Rot. Bonds3

About N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane

N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane (PubChem CID 144946605) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane
PubChem CID144946605
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane
SMILESCC.Cc1nc2ccccc2n1CCN(C)C
InChIInChI=1S/C12H17N3.C2H6/c1-10-13-11-6-4-5-7-12(11)15(10)9-8-14(2)3;1-2/h4-7H,8-9H2,1-3H3;1-2H3
InChIKeyFJVPJYGBWGHQOL-UHFFFAOYSA-N
XLogP2.93
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 60697290
2-methyl-1-[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]propan-2-ol
CID 111750436
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
CID 139248448
3-(2-methylbenzimidazol-1-yl)propanal
CID 63041699
2-[[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]methyl]cyclopentan-1-ol
CID 109397859
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-[2-[(1-ethylbenzimidazol-2-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine
CID 1212470
4-(2-methylbenzimidazol-1-yl)butanenitrile
CID 24690449
1-(4-methoxybutyl)-2-methylbenzimidazole
CID 104649828
1-(2,2-dimethylpropyl)-2-methylbenzimidazole
CID 21060284

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane?
The IUPAC name of N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane (CID 144946605) is N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane.
What is the SMILES notation for N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane?
The canonical SMILES for N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane is CC.Cc1nc2ccccc2n1CCN(C)C.
What is the InChIKey of N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane?
The InChIKey is FJVPJYGBWGHQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3.C2H6/c1-10-13-11-6-4-5-7-12(11)15(10)9-8-14(2)3;1-2/h4-7H,8-9H2,1-3H3;1-2H3.
What are the key properties of N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane?
N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane has a molecular weight of 233.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane is sourced from PubChem (CID 144946605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).