3-methyl-1-(1-methylbenzimidazol-2-yl)-N-propylhexan-2-amine

C18H29N3 — CID 105007682

IUPAC3-methyl-1-(1-methylbenzimidazol-2-yl)-N-propylhexan-2-amine
SMILESCCCNC(Cc1nc2ccccc2n1C)C(C)CCC
InChIInChI=1S/C18H29N3/c1-5-9-14(3)16(19-12-6-2)13-18-20-15-10-7-8-11-17(15)21(18)4/h7-8,10-11,14,16,19H,5-6,9,12-13H2,1-4H3
InChIKeyJHQLAUTXWMUQBQ-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.92
Rot. Bonds8

About 3-methyl-1-(1-methylbenzimidazol-2-yl)-N-propylhexan-2-amine

3-methyl-1-(1-methylbenzimidazol-2-yl)-N-propylhexan-2-amine (PubChem CID 105007682) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-methyl-1-(1-methylbenzimidazol-2-yl)-N-propylhexan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(1-methylbenzimidazol-2-yl)-N-propylhexan-2-amine
PubChem CID105007682
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name3-methyl-1-(1-methylbenzimidazol-2-yl)-N-propylhexan-2-amine
SMILESCCCNC(Cc1nc2ccccc2n1C)C(C)CCC
InChIInChI=1S/C18H29N3/c1-5-9-14(3)16(19-12-6-2)13-18-20-15-10-7-8-11-17(15)21(18)4/h7-8,10-11,14,16,19H,5-6,9,12-13H2,1-4H3
InChIKeyJHQLAUTXWMUQBQ-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-1-(1-methylbenzimidazol-2-yl)-N-propylpentan-2-amine
CID 116716179
1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine
CID 79754187
N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-amine
CID 105007782
1-(1-methylbenzimidazol-2-yl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105164919
1,1-difluoro-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine
CID 103516847
N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79754110
N-ethyl-3-methoxy-4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116720444
N-ethyl-2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine
CID 81015250
3-(1-ethylbenzimidazol-2-yl)-1,1-difluoro-N-propylpropan-2-amine
CID 103516858
1-(1-methylbenzimidazol-2-yl)-N-propan-2-ylhexan-2-amine
CID 79750942
2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide
CID 60677060
3-ethoxy-N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116721301

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylbenzimidazol-2-yl)-N-propylhexan-2-amine?
The IUPAC name of 3-methyl-1-(1-methylbenzimidazol-2-yl)-N-propylhexan-2-amine (CID 105007682) is 3-methyl-1-(1-methylbenzimidazol-2-yl)-N-propylhexan-2-amine.
What is the SMILES notation for 3-methyl-1-(1-methylbenzimidazol-2-yl)-N-propylhexan-2-amine?
The canonical SMILES for 3-methyl-1-(1-methylbenzimidazol-2-yl)-N-propylhexan-2-amine is CCCNC(Cc1nc2ccccc2n1C)C(C)CCC.
What is the InChIKey of 3-methyl-1-(1-methylbenzimidazol-2-yl)-N-propylhexan-2-amine?
The InChIKey is JHQLAUTXWMUQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-5-9-14(3)16(19-12-6-2)13-18-20-15-10-7-8-11-17(15)21(18)4/h7-8,10-11,14,16,19H,5-6,9,12-13H2,1-4H3.
What are the key properties of 3-methyl-1-(1-methylbenzimidazol-2-yl)-N-propylhexan-2-amine?
3-methyl-1-(1-methylbenzimidazol-2-yl)-N-propylhexan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylbenzimidazol-2-yl)-N-propylhexan-2-amine is sourced from PubChem (CID 105007682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).