4-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pentan-2-amine

C16H25N3 — CID 43371877

IUPAC4-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pentan-2-amine
SMILESCC(C)CC(C)NC(C)c1nc2ccccc2n1C
InChIInChI=1S/C16H25N3/c1-11(2)10-12(3)17-13(4)16-18-14-8-6-7-9-15(14)19(16)5/h6-9,11-13,17H,10H2,1-5H3
InChIKeyLHVALJGGFPIFSN-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.66
Rot. Bonds5

About 4-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pentan-2-amine

4-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pentan-2-amine (PubChem CID 43371877) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 4-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pentan-2-amine
PubChem CID43371877
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name4-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pentan-2-amine
SMILESCC(C)CC(C)NC(C)c1nc2ccccc2n1C
InChIInChI=1S/C16H25N3/c1-11(2)10-12(3)17-13(4)16-18-14-8-6-7-9-15(14)19(16)5/h6-9,11-13,17H,10H2,1-5H3
InChIKeyLHVALJGGFPIFSN-UHFFFAOYSA-N
XLogP3.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine
CID 62197068
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115898492
(1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine
CID 81351559
3-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentanenitrile
CID 62647635
2-[1-(1-methylbenzimidazol-2-yl)ethylamino]-2-phenylethanol
CID 110931079
N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine
CID 43192433
2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
CID 43545364
(1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine
CID 81396604
1-(1-methylbenzimidazol-2-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 43703094
N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 82706490
N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43190024

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pentan-2-amine?
The IUPAC name of 4-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pentan-2-amine (CID 43371877) is 4-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pentan-2-amine.
What is the SMILES notation for 4-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pentan-2-amine?
The canonical SMILES for 4-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pentan-2-amine is CC(C)CC(C)NC(C)c1nc2ccccc2n1C.
What is the InChIKey of 4-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pentan-2-amine?
The InChIKey is LHVALJGGFPIFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-11(2)10-12(3)17-13(4)16-18-14-8-6-7-9-15(14)19(16)5/h6-9,11-13,17H,10H2,1-5H3.
What are the key properties of 4-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pentan-2-amine?
4-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pentan-2-amine has a molecular weight of 259.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pentan-2-amine is sourced from PubChem (CID 43371877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).