N-ethyl-2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine

C16H25N3 — CID 81015250

IUPACN-ethyl-2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine
SMILESCCNCC(C)C(C)Cc1nc2ccccc2n1C
InChIInChI=1S/C16H25N3/c1-5-17-11-13(3)12(2)10-16-18-14-8-6-7-9-15(14)19(16)4/h6-9,12-13,17H,5,10-11H2,1-4H3
InChIKeyAYVYHGRSSTXWGI-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.00
Rot. Bonds6

About N-ethyl-2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine

N-ethyl-2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine (PubChem CID 81015250) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-ethyl-2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine
PubChem CID81015250
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-ethyl-2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine
SMILESCCNCC(C)C(C)Cc1nc2ccccc2n1C
InChIInChI=1S/C16H25N3/c1-5-17-11-13(3)12(2)10-16-18-14-8-6-7-9-15(14)19(16)4/h6-9,12-13,17H,5,10-11H2,1-4H3
InChIKeyAYVYHGRSSTXWGI-UHFFFAOYSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol
CID 79750517
2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butanoic acid
CID 81009059
N-ethyl-3-methoxy-4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116720444
N-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine
CID 105007583
4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81011531
3-methyl-1-(1-methylbenzimidazol-2-yl)-N-propylhexan-2-amine
CID 105007682
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
N-ethyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632434
N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79754110
N-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79750698
3-ethoxy-N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116721301

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine?
The IUPAC name of N-ethyl-2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine (CID 81015250) is N-ethyl-2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine?
The canonical SMILES for N-ethyl-2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine is CCNCC(C)C(C)Cc1nc2ccccc2n1C.
What is the InChIKey of N-ethyl-2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine?
The InChIKey is AYVYHGRSSTXWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-5-17-11-13(3)12(2)10-16-18-14-8-6-7-9-15(14)19(16)4/h6-9,12-13,17H,5,10-11H2,1-4H3.
What are the key properties of N-ethyl-2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine?
N-ethyl-2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine has a molecular weight of 259.40 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 81015250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).