3-[2-(1-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol

C14H21N3O2 — CID 82024907

IUPAC3-[2-(1-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol
SMILESCc1cc2nc(C(C)N)n(CC(O)CO)c2cc1C
InChIInChI=1S/C14H21N3O2/c1-8-4-12-13(5-9(8)2)17(6-11(19)7-18)14(16-12)10(3)15/h4-5,10-11,18-19H,6-7,15H2,1-3H3
InChIKeyGMPXNFUQKZINBS-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.03
Rot. Bonds4

About 3-[2-(1-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol

3-[2-(1-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol (PubChem CID 82024907) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[2-(1-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(1-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol
PubChem CID82024907
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[2-(1-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol
SMILESCc1cc2nc(C(C)N)n(CC(O)CO)c2cc1C
InChIInChI=1S/C14H21N3O2/c1-8-4-12-13(5-9(8)2)17(6-11(19)7-18)14(16-12)10(3)15/h4-5,10-11,18-19H,6-7,15H2,1-3H3
InChIKeyGMPXNFUQKZINBS-UHFFFAOYSA-N
XLogP1.03
TPSA84.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(1-aminoethyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]propane-1,2-diol
CID 82025032
3-[2-(2-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol
CID 82024878
1-(5,6-dimethyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine
CID 82024893
2-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)ethanamine
CID 82145095
7,8-dimethyl-10-[(2R)-2,4,5-trihydroxypentyl]benzo[g]pteridine-2,4-dione
CID 166944134
1-[3-(2-methylpropyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl]ethanamine
CID 82025029
1-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine
CID 74554180
2-[2-(1-aminoethyl)-5,6-dimethoxybenzimidazol-1-yl]acetonitrile
CID 82024969
3-(2-tert-butyl-5,6-dimethylbenzimidazol-1-yl)-2-methylpropanethioamide
CID 82150327
10-(2,5-dihydroxypentyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione
CID 59115245
2-(2-tert-butyl-5,6-dimethylbenzimidazol-1-yl)ethanol
CID 82149314
1-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propan-2-ol
CID 4092386

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol?
The IUPAC name of 3-[2-(1-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol (CID 82024907) is 3-[2-(1-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[2-(1-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[2-(1-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol is Cc1cc2nc(C(C)N)n(CC(O)CO)c2cc1C.
What is the InChIKey of 3-[2-(1-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol?
The InChIKey is GMPXNFUQKZINBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-8-4-12-13(5-9(8)2)17(6-11(19)7-18)14(16-12)10(3)15/h4-5,10-11,18-19H,6-7,15H2,1-3H3.
What are the key properties of 3-[2-(1-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol?
3-[2-(1-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol has a molecular weight of 263.34 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 82024907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).