1-(1-methylbenzimidazol-2-yl)-3-propan-2-yloxy-N-propylpropan-2-amine

C17H27N3O — CID 105164919

IUPAC1-(1-methylbenzimidazol-2-yl)-3-propan-2-yloxy-N-propylpropan-2-amine
SMILESCCCNC(COC(C)C)Cc1nc2ccccc2n1C
InChIInChI=1S/C17H27N3O/c1-5-10-18-14(12-21-13(2)3)11-17-19-15-8-6-7-9-16(15)20(17)4/h6-9,13-14,18H,5,10-12H2,1-4H3
InChIKeyUFSMGOUYROBNGC-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.91
Rot. Bonds8

About 1-(1-methylbenzimidazol-2-yl)-3-propan-2-yloxy-N-propylpropan-2-amine

1-(1-methylbenzimidazol-2-yl)-3-propan-2-yloxy-N-propylpropan-2-amine (PubChem CID 105164919) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-2-yl)-3-propan-2-yloxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-2-yl)-3-propan-2-yloxy-N-propylpropan-2-amine
PubChem CID105164919
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-(1-methylbenzimidazol-2-yl)-3-propan-2-yloxy-N-propylpropan-2-amine
SMILESCCCNC(COC(C)C)Cc1nc2ccccc2n1C
InChIInChI=1S/C17H27N3O/c1-5-10-18-14(12-21-13(2)3)11-17-19-15-8-6-7-9-16(15)20(17)4/h6-9,13-14,18H,5,10-12H2,1-4H3
InChIKeyUFSMGOUYROBNGC-UHFFFAOYSA-N
XLogP2.91
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine
CID 79754187
N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79754110
3-methyl-1-(1-methylbenzimidazol-2-yl)-N-propylhexan-2-amine
CID 105007682
3-methoxy-1-(1-methylbenzimidazol-2-yl)-N-propylpentan-2-amine
CID 116716179
[1-(1-ethylbenzimidazol-2-yl)-3-propan-2-yloxypropan-2-yl]hydrazine
CID 105321101
1-(1-methylbenzimidazol-2-yl)-N-propan-2-ylhexan-2-amine
CID 79750942
1-methylsulfanyl-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine
CID 79756659
N-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79750698
1,1-diethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753376
N,5-dimethyl-1-(1-methylbenzimidazol-2-yl)hexan-2-amine
CID 79750546
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
N-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-amine
CID 105007516

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzimidazol-2-yl)-3-propan-2-yloxy-N-propylpropan-2-amine?
The IUPAC name of 1-(1-methylbenzimidazol-2-yl)-3-propan-2-yloxy-N-propylpropan-2-amine (CID 105164919) is 1-(1-methylbenzimidazol-2-yl)-3-propan-2-yloxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-(1-methylbenzimidazol-2-yl)-3-propan-2-yloxy-N-propylpropan-2-amine?
The canonical SMILES for 1-(1-methylbenzimidazol-2-yl)-3-propan-2-yloxy-N-propylpropan-2-amine is CCCNC(COC(C)C)Cc1nc2ccccc2n1C.
What is the InChIKey of 1-(1-methylbenzimidazol-2-yl)-3-propan-2-yloxy-N-propylpropan-2-amine?
The InChIKey is UFSMGOUYROBNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-5-10-18-14(12-21-13(2)3)11-17-19-15-8-6-7-9-16(15)20(17)4/h6-9,13-14,18H,5,10-12H2,1-4H3.
What are the key properties of 1-(1-methylbenzimidazol-2-yl)-3-propan-2-yloxy-N-propylpropan-2-amine?
1-(1-methylbenzimidazol-2-yl)-3-propan-2-yloxy-N-propylpropan-2-amine has a molecular weight of 289.42 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzimidazol-2-yl)-3-propan-2-yloxy-N-propylpropan-2-amine is sourced from PubChem (CID 105164919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).