N-ethyl-3-methoxy-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine

C17H27N3O — CID 116758110

IUPACN-ethyl-3-methoxy-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
SMILESCCNC(Cc1nc2ccccc2n1C)C(C)(CC)OC
InChIInChI=1S/C17H27N3O/c1-6-17(3,21-5)15(18-7-2)12-16-19-13-10-8-9-11-14(13)20(16)4/h8-11,15,18H,6-7,12H2,1-5H3
InChIKeyOIHCWCDGCBEYKB-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.91
Rot. Bonds7

About N-ethyl-3-methoxy-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine

N-ethyl-3-methoxy-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine (PubChem CID 116758110) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-ethyl-3-methoxy-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
PubChem CID116758110
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-ethyl-3-methoxy-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
SMILESCCNC(Cc1nc2ccccc2n1C)C(C)(CC)OC
InChIInChI=1S/C17H27N3O/c1-6-17(3,21-5)15(18-7-2)12-16-19-13-10-8-9-11-14(13)20(16)4/h8-11,15,18H,6-7,12H2,1-5H3
InChIKeyOIHCWCDGCBEYKB-UHFFFAOYSA-N
XLogP2.91
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

N-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine
CID 105007583
N-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79750698
N-ethyl-3-methoxy-3-methyl-1-quinolin-2-ylpentan-2-amine
CID 116758103
3-ethyl-3-methoxy-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116760727
N-ethyl-3-methoxy-4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116720444
N-ethyl-3-methoxy-3-methyl-1-quinolin-4-ylpentan-2-amine
CID 116757907
3-ethoxy-N-ethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116717051
3-methoxy-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol
CID 116752064
N,4,4-trimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79750625
[1-tert-butylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-yl]hydrazine
CID 105226520
1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine
CID 79754187
N-ethyl-2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine
CID 81015250

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The IUPAC name of N-ethyl-3-methoxy-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine (CID 116758110) is N-ethyl-3-methoxy-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-3-methoxy-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-3-methoxy-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine is CCNC(Cc1nc2ccccc2n1C)C(C)(CC)OC.
What is the InChIKey of N-ethyl-3-methoxy-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The InChIKey is OIHCWCDGCBEYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-6-17(3,21-5)15(18-7-2)12-16-19-13-10-8-9-11-14(13)20(16)4/h8-11,15,18H,6-7,12H2,1-5H3.
What are the key properties of N-ethyl-3-methoxy-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
N-ethyl-3-methoxy-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine has a molecular weight of 289.42 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine is sourced from PubChem (CID 116758110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).