1-(1-methylbenzimidazol-2-yl)-N-propan-2-ylhexan-2-amine

C17H27N3 — CID 79750942

IUPAC1-(1-methylbenzimidazol-2-yl)-N-propan-2-ylhexan-2-amine
SMILESCCCCC(Cc1nc2ccccc2n1C)NC(C)C
InChIInChI=1S/C17H27N3/c1-5-6-9-14(18-13(2)3)12-17-19-15-10-7-8-11-16(15)20(17)4/h7-8,10-11,13-14,18H,5-6,9,12H2,1-4H3
InChIKeyMVEBQHYBDUHFKJ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.67
Rot. Bonds7

About 1-(1-methylbenzimidazol-2-yl)-N-propan-2-ylhexan-2-amine

1-(1-methylbenzimidazol-2-yl)-N-propan-2-ylhexan-2-amine (PubChem CID 79750942) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-2-yl)-N-propan-2-ylhexan-2-amine.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-2-yl)-N-propan-2-ylhexan-2-amine
PubChem CID79750942
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-(1-methylbenzimidazol-2-yl)-N-propan-2-ylhexan-2-amine
SMILESCCCCC(Cc1nc2ccccc2n1C)NC(C)C
InChIInChI=1S/C17H27N3/c1-5-6-9-14(18-13(2)3)12-17-19-15-10-7-8-11-16(15)20(17)4/h7-8,10-11,13-14,18H,5-6,9,12H2,1-4H3
InChIKeyMVEBQHYBDUHFKJ-UHFFFAOYSA-N
XLogP3.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-amine
CID 105007516
N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79754110
N-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine
CID 62197068
1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine
CID 79754187
N,5-dimethyl-1-(1-methylbenzimidazol-2-yl)hexan-2-amine
CID 79750546
5-methoxy-N-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79751232
1-(1-methylbenzimidazol-2-yl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105164919
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
3-methyl-1-(1-methylbenzimidazol-2-yl)-N-propylhexan-2-amine
CID 105007682
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
N-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79750698
N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine
CID 43192433

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzimidazol-2-yl)-N-propan-2-ylhexan-2-amine?
The IUPAC name of 1-(1-methylbenzimidazol-2-yl)-N-propan-2-ylhexan-2-amine (CID 79750942) is 1-(1-methylbenzimidazol-2-yl)-N-propan-2-ylhexan-2-amine.
What is the SMILES notation for 1-(1-methylbenzimidazol-2-yl)-N-propan-2-ylhexan-2-amine?
The canonical SMILES for 1-(1-methylbenzimidazol-2-yl)-N-propan-2-ylhexan-2-amine is CCCCC(Cc1nc2ccccc2n1C)NC(C)C.
What is the InChIKey of 1-(1-methylbenzimidazol-2-yl)-N-propan-2-ylhexan-2-amine?
The InChIKey is MVEBQHYBDUHFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-5-6-9-14(18-13(2)3)12-17-19-15-10-7-8-11-16(15)20(17)4/h7-8,10-11,13-14,18H,5-6,9,12H2,1-4H3.
What are the key properties of 1-(1-methylbenzimidazol-2-yl)-N-propan-2-ylhexan-2-amine?
1-(1-methylbenzimidazol-2-yl)-N-propan-2-ylhexan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzimidazol-2-yl)-N-propan-2-ylhexan-2-amine is sourced from PubChem (CID 79750942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).