N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine

C16H25N3 — CID 55073175

IUPACN-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine
SMILESCc1cc2ncn(C(C)CNC(C)(C)C)c2cc1C
InChIInChI=1S/C16H25N3/c1-11-7-14-15(8-12(11)2)19(10-17-14)13(3)9-18-16(4,5)6/h7-8,10,13,18H,9H2,1-6H3
InChIKeySNFCCJGVUXHEPU-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.60
Rot. Bonds3

About N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine

N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine (PubChem CID 55073175) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine
PubChem CID55073175
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine
SMILESCc1cc2ncn(C(C)CNC(C)(C)C)c2cc1C
InChIInChI=1S/C16H25N3/c1-11-7-14-15(8-12(11)2)19(10-17-14)13(3)9-18-16(4,5)6/h7-8,10,13,18H,9H2,1-6H3
InChIKeySNFCCJGVUXHEPU-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)-3-methylbutan-1-amine
CID 62447771
N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-1-amine
CID 62446647
N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]butan-1-amine
CID 62562987
N-tert-butyl-2-(5,6-difluorobenzimidazol-1-yl)-3-methylbutan-1-amine
CID 62564290
2-(5,6-dimethylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62562633
3-(5,6-dimethylbenzimidazol-1-yl)-N'-hydroxybutanimidamide
CID 54945692
2-(5,6-dimethylbenzimidazol-1-yl)-N-propylbutan-1-amine
CID 62447956
3-(5,6-dimethylbenzimidazol-1-yl)butanimidamide
CID 54945365
3-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79619959
2-(5,6-dimethylbenzimidazol-1-yl)-N-ethyl-3-methoxypropan-1-amine
CID 103227498
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine
CID 62448342
3-(benzimidazol-1-yl)-N-tert-butylbutan-1-amine
CID 62447049

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine (CID 55073175) is N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine is Cc1cc2ncn(C(C)CNC(C)(C)C)c2cc1C.
What is the InChIKey of N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is SNFCCJGVUXHEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-11-7-14-15(8-12(11)2)19(10-17-14)13(3)9-18-16(4,5)6/h7-8,10,13,18H,9H2,1-6H3.
What are the key properties of N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine?
N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 259.40 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55073175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).