2-amino-2-(hydroxymethyl)propane-1,3-diol;1-phenylbenzimidazole

C17H21N3O3 — CID 155109069

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol;1-phenylbenzimidazole
SMILESNC(CO)(CO)CO.c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C13H10N2.C4H11NO3/c1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15;5-4(1-6,2-7)3-8/h1-10H;6-8H,1-3,5H2
InChIKeyNUVVTWQXKQNNJK-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.69
Rot. Bonds4

About 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-phenylbenzimidazole

2-amino-2-(hydroxymethyl)propane-1,3-diol;1-phenylbenzimidazole (PubChem CID 155109069) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-phenylbenzimidazole.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol;1-phenylbenzimidazole
PubChem CID155109069
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;1-phenylbenzimidazole
SMILESNC(CO)(CO)CO.c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C13H10N2.C4H11NO3/c1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15;5-4(1-6,2-7)3-8/h1-10H;6-8H,1-3,5H2
InChIKeyNUVVTWQXKQNNJK-UHFFFAOYSA-N
XLogP0.69
TPSA104.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzimidazol-1-yl)benzaldehyde
CID 737733
(2S)-2-amino-2-[4-(benzimidazol-1-yl)phenyl]acetic acid
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1-[3-(benzimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzimidazole
CID 58978587
[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 17475824
4-[2-[3-(benzimidazol-1-yl)phenyl]ethenyl]benzoic acid
CID 123739580
2-[3-(benzimidazol-1-yl)phenoxy]acetic acid
CID 82514442
(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine
CID 25324450
[3-(benzimidazol-1-yl)phenyl]-diphenylphosphane
CID 89051577
1-(4-ethoxyphenyl)benzimidazole
CID 175001446
1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine
CID 55237590
3-[3-(benzimidazol-1-yl)phenyl]propanoic acid
CID 82514384
CID 149192166
CID 149192166

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-phenylbenzimidazole?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-phenylbenzimidazole (CID 155109069) is 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-phenylbenzimidazole.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-phenylbenzimidazole?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-phenylbenzimidazole is NC(CO)(CO)CO.c1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-phenylbenzimidazole?
The InChIKey is NUVVTWQXKQNNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2.C4H11NO3/c1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15;5-4(1-6,2-7)3-8/h1-10H;6-8H,1-3,5H2.
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-phenylbenzimidazole?
2-amino-2-(hydroxymethyl)propane-1,3-diol;1-phenylbenzimidazole has a molecular weight of 315.37 g/mol, XLogP of 0.69, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-phenylbenzimidazole is sourced from PubChem (CID 155109069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).