(1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol

C18H18N4O2 — CID 1090298

IUPAC(1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
SMILESCc1ccc2nc([C@@H](O)[C@H](O)c3nc4ccc(C)cc4[nH]3)[nH]c2c1
InChIInChI=1S/C18H18N4O2/c1-9-3-5-11-13(7-9)21-17(19-11)15(23)16(24)18-20-12-6-4-10(2)8-14(12)22-18/h3-8,15-16,23-24H,1-2H3,(H,19,21)(H,20,22)/t15-,16-/m0/s1
InChIKeyUVQBVNCTDLEOPI-HOTGVXAUSA-N
MW322.37 g/mol
LogP2.82
Rot. Bonds3

About (1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol

(1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol (PubChem CID 1090298) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is (1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol.

Molecular Properties

Compound Name(1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
PubChem CID1090298
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name(1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
SMILESCc1ccc2nc([C@@H](O)[C@H](O)c3nc4ccc(C)cc4[nH]3)[nH]c2c1
InChIInChI=1S/C18H18N4O2/c1-9-3-5-11-13(7-9)21-17(19-11)15(23)16(24)18-20-12-6-4-10(2)8-14(12)22-18/h3-8,15-16,23-24H,1-2H3,(H,19,21)(H,20,22)/t15-,16-/m0/s1
InChIKeyUVQBVNCTDLEOPI-HOTGVXAUSA-N
XLogP2.82
TPSA97.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 653921
methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 143560224
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethanol
CID 102488846
1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid
CID 23453418
(1R,2S)-1,2-bis(6-amino-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 765476
(1S,2S)-1,2-bis(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 6927588
2-[(1R,2R)-2-(6-cyano-1H-benzimidazol-2-yl)-1,2-dihydroxyethyl]-3H-benzimidazole-5-carbonitrile
CID 6927993
3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 43379497
2-[(2R)-1-methoxypropan-2-yl]-6-methyl-1H-benzimidazole
CID 143794586
2-(3,4-dimethyl-2-pyridinyl)-1-(6-methyl-1H-benzimidazol-2-yl)ethanol
CID 163448451
ethyl 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)butanoate
CID 79474874
N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-1-phenylmethanamine
CID 3009971

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol?
The IUPAC name of (1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol (CID 1090298) is (1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol.
What is the SMILES notation for (1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol?
The canonical SMILES for (1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol is Cc1ccc2nc([C@@H](O)[C@H](O)c3nc4ccc(C)cc4[nH]3)[nH]c2c1.
What is the InChIKey of (1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol?
The InChIKey is UVQBVNCTDLEOPI-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-9-3-5-11-13(7-9)21-17(19-11)15(23)16(24)18-20-12-6-4-10(2)8-14(12)22-18/h3-8,15-16,23-24H,1-2H3,(H,19,21)(H,20,22)/t15-,16-/m0/s1.
What are the key properties of (1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol?
(1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol has a molecular weight of 322.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol is sourced from PubChem (CID 1090298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).