N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine

C16H25N3 — CID 82336677

IUPACN-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)Cc1nc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C16H25N3/c1-5-7-8-19(6-2)11-16-17-14-9-12(3)13(4)10-15(14)18-16/h9-10H,5-8,11H2,1-4H3,(H,17,18)
InChIKeyFGAQAFDVDYMGAK-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.80
Rot. Bonds6

About N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine

N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine (PubChem CID 82336677) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine.

Molecular Properties

Compound NameN-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine
PubChem CID82336677
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)Cc1nc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C16H25N3/c1-5-7-8-19(6-2)11-16-17-14-9-12(3)13(4)10-15(14)18-16/h9-10H,5-8,11H2,1-4H3,(H,17,18)
InChIKeyFGAQAFDVDYMGAK-UHFFFAOYSA-N
XLogP3.80
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine
CID 82335876
N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine
CID 82335815
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 82336665
N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 82335865
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336896
N-ethyl-N-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-ylmethyl)ethanamine
CID 82336716
3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N,N-dimethylpropanamide
CID 91839392
2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol
CID 60689151
N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 82335854
2-[ethyl-[(6-ethyl-1H-benzimidazol-2-yl)methyl]amino]ethanol
CID 82335958
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 82335889
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine
CID 62336189

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine?
The IUPAC name of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine (CID 82336677) is N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine.
What is the SMILES notation for N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine?
The canonical SMILES for N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine is CCCCN(CC)Cc1nc2cc(C)c(C)cc2[nH]1.
What is the InChIKey of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine?
The InChIKey is FGAQAFDVDYMGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-5-7-8-19(6-2)11-16-17-14-9-12(3)13(4)10-15(14)18-16/h9-10H,5-8,11H2,1-4H3,(H,17,18).
What are the key properties of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine?
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine has a molecular weight of 259.40 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine is sourced from PubChem (CID 82336677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).