2-amino-1-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]ethanol

C13H15N5O — CID 116881704

IUPAC2-amino-1-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]ethanol
SMILESCc1nc2ccc(-c3cnc(C(O)CN)[nH]3)cc2[nH]1
InChIInChI=1S/C13H15N5O/c1-7-16-9-3-2-8(4-10(9)17-7)11-6-15-13(18-11)12(19)5-14/h2-4,6,12,19H,5,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyFDKMSPWSUNLYNP-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.25
Rot. Bonds3

About 2-amino-1-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]ethanol

2-amino-1-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]ethanol (PubChem CID 116881704) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-amino-1-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]ethanol
PubChem CID116881704
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-amino-1-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]ethanol
SMILESCc1nc2ccc(-c3cnc(C(O)CN)[nH]3)cc2[nH]1
InChIInChI=1S/C13H15N5O/c1-7-16-9-3-2-8(4-10(9)17-7)11-6-15-13(18-11)12(19)5-14/h2-4,6,12,19H,5,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyFDKMSPWSUNLYNP-UHFFFAOYSA-N
XLogP1.25
TPSA103.61 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]ethanol
CID 116881641
2-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]acetic acid
CID 116878629
[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]hydrazine
CID 116884165
5-[2-(2-amino-1-hydroxyethyl)-1H-imidazol-5-yl]-3H-1,3-benzoxazol-2-one
CID 116881708
2-amino-1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethanol
CID 116881716
2-amino-1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-2-yl]ethanol
CID 116881709
2-methyl-6-(4-phenylphenyl)-1H-benzimidazole
CID 175938016
2-amino-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanol
CID 66166899
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
1-(2-methyl-3H-benzimidazol-5-yl)propane-1,2,3-triol
CID 170818053
2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
CID 861438
2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
CID 158790051

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]ethanol?
The IUPAC name of 2-amino-1-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]ethanol (CID 116881704) is 2-amino-1-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]ethanol.
What is the SMILES notation for 2-amino-1-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]ethanol?
The canonical SMILES for 2-amino-1-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]ethanol is Cc1nc2ccc(-c3cnc(C(O)CN)[nH]3)cc2[nH]1.
What is the InChIKey of 2-amino-1-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]ethanol?
The InChIKey is FDKMSPWSUNLYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-7-16-9-3-2-8(4-10(9)17-7)11-6-15-13(18-11)12(19)5-14/h2-4,6,12,19H,5,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-amino-1-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]ethanol?
2-amino-1-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]ethanol has a molecular weight of 257.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]ethanol is sourced from PubChem (CID 116881704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).