1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine

C14H22N4 — CID 115144217

IUPAC1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N(C)C(C)C)n2CCN
InChIInChI=1S/C14H22N4/c1-10(2)17(4)14-16-12-9-11(3)5-6-13(12)18(14)8-7-15/h5-6,9-10H,7-8,15H2,1-4H3
InChIKeyKFYCKVZTXHGZEC-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.15
Rot. Bonds4

About 1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine

1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine (PubChem CID 115144217) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine
PubChem CID115144217
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N(C)C(C)C)n2CCN
InChIInChI=1S/C14H22N4/c1-10(2)17(4)14-16-12-9-11(3)5-6-13(12)18(14)8-7-15/h5-6,9-10H,7-8,15H2,1-4H3
InChIKeyKFYCKVZTXHGZEC-UHFFFAOYSA-N
XLogP2.15
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethyl)-5-methylbenzimidazol-2-amine
CID 84771588
5-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]benzimidazol-2-amine
CID 106035839
1-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)benzimidazol-2-amine
CID 115144201
N-[2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]ethyl]-N-methylpropan-2-amine
CID 55097963
3-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 82332974
2-(1-ethyl-5-methylbenzimidazol-2-yl)propan-1-amine
CID 62675893
N'-(1,6-dimethylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine
CID 83836721
2-(5-methyl-1-propylbenzimidazol-2-yl)butan-1-amine
CID 65221305
2-[5-methyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanamine
CID 82310629
[1-[2-(dimethylamino)ethyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333285
3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol
CID 107835397
2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82332966

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine?
The IUPAC name of 1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine (CID 115144217) is 1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine.
What is the SMILES notation for 1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine?
The canonical SMILES for 1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine is Cc1ccc2c(c1)nc(N(C)C(C)C)n2CCN.
What is the InChIKey of 1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine?
The InChIKey is KFYCKVZTXHGZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10(2)17(4)14-16-12-9-11(3)5-6-13(12)18(14)8-7-15/h5-6,9-10H,7-8,15H2,1-4H3.
What are the key properties of 1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine?
1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine has a molecular weight of 246.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine is sourced from PubChem (CID 115144217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).