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

C16H25N3 — CID 62446647

IUPACN-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-1-amine
SMILESCc1cc2ncn(C(C)CNCC(C)C)c2cc1C
InChIInChI=1S/C16H25N3/c1-11(2)8-17-9-14(5)19-10-18-15-6-12(3)13(4)7-16(15)19/h6-7,10-11,14,17H,8-9H2,1-5H3
InChIKeyXBOLWXQCJOXCOJ-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.46
Rot. Bonds5

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

N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-1-amine (PubChem CID 62446647) 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-1-amine.

Molecular Properties

Compound NameN-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-1-amine
PubChem CID62446647
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-1-amine
SMILESCc1cc2ncn(C(C)CNCC(C)C)c2cc1C
InChIInChI=1S/C16H25N3/c1-11(2)8-17-9-14(5)19-10-18-15-6-12(3)13(4)7-16(15)19/h6-7,10-11,14,17H,8-9H2,1-5H3
InChIKeyXBOLWXQCJOXCOJ-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]butan-1-amine
CID 62562987
N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine
CID 55073175
2-(5,6-dimethylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62562633
4-(5,6-dimethylbenzimidazol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62449256
3-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79619959
N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)-3-methylbutan-1-amine
CID 62447771
2-(5,6-dimethylbenzimidazol-1-yl)-N-propylbutan-1-amine
CID 62447956
N-[[2-(5,6-dimethylbenzimidazol-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 80998510
2-(5,6-dimethylbenzimidazol-1-yl)-N-ethyl-3-methoxypropan-1-amine
CID 103227498
3-(5,6-dimethylbenzimidazol-1-yl)-N'-hydroxybutanimidamide
CID 54945692
3-(5,6-dimethylbenzimidazol-1-yl)butanimidamide
CID 54945365
2-(5,6-dimethylbenzimidazol-1-yl)pentan-1-amine
CID 83044057

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-1-amine (CID 62446647) is N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-1-amine is Cc1cc2ncn(C(C)CNCC(C)C)c2cc1C.
What is the InChIKey of N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-1-amine?
The InChIKey is XBOLWXQCJOXCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-11(2)8-17-9-14(5)19-10-18-15-6-12(3)13(4)7-16(15)19/h6-7,10-11,14,17H,8-9H2,1-5H3.
What are the key properties of N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-1-amine?
N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-1-amine has a molecular weight of 259.40 g/mol, XLogP of 3.46, 5 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-1-amine is sourced from PubChem (CID 62446647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).