N-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine

C16H25N3 — CID 62197068

IUPACN-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine
SMILESCCCCC(C)NC(C)c1nc2ccccc2n1C
InChIInChI=1S/C16H25N3/c1-5-6-9-12(2)17-13(3)16-18-14-10-7-8-11-15(14)19(16)4/h7-8,10-13,17H,5-6,9H2,1-4H3
InChIKeyPPQFODFUMRFTDH-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.80
Rot. Bonds6

About N-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine

N-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine (PubChem CID 62197068) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine.

Molecular Properties

Compound NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine
PubChem CID62197068
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine
SMILESCCCCC(C)NC(C)c1nc2ccccc2n1C
InChIInChI=1S/C16H25N3/c1-5-6-9-12(2)17-13(3)16-18-14-10-7-8-11-15(14)19(16)4/h7-8,10-13,17H,5-6,9H2,1-4H3
InChIKeyPPQFODFUMRFTDH-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine
CID 43192433
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115898492
4-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pentan-2-amine
CID 43371877
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
3-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentanenitrile
CID 62647635
(1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine
CID 81351559
4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol
CID 106840769
1-(1-methylbenzimidazol-2-yl)-N-propan-2-ylhexan-2-amine
CID 79750942
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
2-[1-(1-methylbenzimidazol-2-yl)ethylamino]-2-phenylethanol
CID 110931079
N',N'-diethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]propane-1,3-diamine
CID 43194800
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine
CID 113350156

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine?
The IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine (CID 62197068) is N-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine.
What is the SMILES notation for N-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine?
The canonical SMILES for N-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine is CCCCC(C)NC(C)c1nc2ccccc2n1C.
What is the InChIKey of N-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine?
The InChIKey is PPQFODFUMRFTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-5-6-9-12(2)17-13(3)16-18-14-10-7-8-11-15(14)19(16)4/h7-8,10-13,17H,5-6,9H2,1-4H3.
What are the key properties of N-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine?
N-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine has a molecular weight of 259.40 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine is sourced from PubChem (CID 62197068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).