N-methyl-2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethanamine

C14H21N3 — CID 82334064

IUPACN-methyl-2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethanamine
SMILESCNCCc1nc2cc(C(C)C)ccc2n1C
InChIInChI=1S/C14H21N3/c1-10(2)11-5-6-13-12(9-11)16-14(17(13)4)7-8-15-3/h5-6,9-10,15H,7-8H2,1-4H3
InChIKeyHZBZRZKLHBIVEM-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.46
Rot. Bonds4

About N-methyl-2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethanamine

N-methyl-2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethanamine (PubChem CID 82334064) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-methyl-2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethanamine
PubChem CID82334064
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-methyl-2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethanamine
SMILESCNCCc1nc2cc(C(C)C)ccc2n1C
InChIInChI=1S/C14H21N3/c1-10(2)11-5-6-13-12(9-11)16-14(17(13)4)7-8-15-3/h5-6,9-10,15H,7-8H2,1-4H3
InChIKeyHZBZRZKLHBIVEM-UHFFFAOYSA-N
XLogP2.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82334086
3-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 82333928
N-methyl-2-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine
CID 82334068
1-methyl-2-[2-(methylamino)ethyl]benzimidazole-5-carbonitrile
CID 84621917
N-methyl-1-(3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84636129
2-(difluoromethyl)-1-methyl-5-propan-2-ylbenzimidazole
CID 176703273
2-tert-butyl-1-methyl-5-propan-2-ylbenzimidazole
CID 83450237
N-[2-(5-ethoxy-1-methylbenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 82334825
3-(5-chloro-1-methylbenzimidazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 60837982
2-(5-chloro-1-methylbenzimidazol-2-yl)-N-ethylethanamine
CID 62327428
2-(chloromethyl)-5-propan-2-yl-1-propylbenzimidazole
CID 82334173
2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 119882375

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethanamine (CID 82334064) is N-methyl-2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethanamine is CNCCc1nc2cc(C(C)C)ccc2n1C.
What is the InChIKey of N-methyl-2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethanamine?
The InChIKey is HZBZRZKLHBIVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-10(2)11-5-6-13-12(9-11)16-14(17(13)4)7-8-15-3/h5-6,9-10,15H,7-8H2,1-4H3.
What are the key properties of N-methyl-2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethanamine?
N-methyl-2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethanamine has a molecular weight of 231.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 82334064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).