N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpentan-2-amine

C16H25N3 — CID 115621638

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpentan-2-amine
SMILESCCCC(C)(C)NCc1nc2ccccc2n1CC
InChIInChI=1S/C16H25N3/c1-5-11-16(3,4)17-12-15-18-13-9-7-8-10-14(13)19(15)6-2/h7-10,17H,5-6,11-12H2,1-4H3
InChIKeyBPWOEUYFBKPECV-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.72
Rot. Bonds6

About N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpentan-2-amine

N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpentan-2-amine (PubChem CID 115621638) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpentan-2-amine
PubChem CID115621638
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpentan-2-amine
SMILESCCCC(C)(C)NCc1nc2ccccc2n1CC
InChIInChI=1S/C16H25N3/c1-5-11-16(3,4)17-12-15-18-13-9-7-8-10-14(13)19(15)6-2/h7-10,17H,5-6,11-12H2,1-4H3
InChIKeyBPWOEUYFBKPECV-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115574819
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline
CID 61020284
(1-ethylbenzimidazol-2-yl)methylazanium chloride
CID 139581059
1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one
CID 79753443
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide
CID 47012383
3-amino-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-one
CID 116557165
1-(1-ethylbenzimidazol-2-yl)-2,3,3-trimethylbutan-2-ol
CID 115400992
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 113303573
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 47145524
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 135109990

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpentan-2-amine?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpentan-2-amine (CID 115621638) is N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpentan-2-amine.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpentan-2-amine?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpentan-2-amine is CCCC(C)(C)NCc1nc2ccccc2n1CC.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpentan-2-amine?
The InChIKey is BPWOEUYFBKPECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-5-11-16(3,4)17-12-15-18-13-9-7-8-10-14(13)19(15)6-2/h7-10,17H,5-6,11-12H2,1-4H3.
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpentan-2-amine?
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpentan-2-amine has a molecular weight of 259.40 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpentan-2-amine is sourced from PubChem (CID 115621638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).