(S)-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazol-2-yl]-phenylmethanol

C20H20N4O — CID 99699872

IUPAC(S)-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazol-2-yl]-phenylmethanol
SMILESCc1nc2ccccc2n1CCn1ccnc1[C@@H](O)c1ccccc1
InChIInChI=1S/C20H20N4O/c1-15-22-17-9-5-6-10-18(17)24(15)14-13-23-12-11-21-20(23)19(25)16-7-3-2-4-8-16/h2-12,19,25H,13-14H2,1H3/t19-/m0/s1
InChIKeyXWBLKPNKTCPNIV-IBGZPJMESA-N
MW332.41 g/mol
LogP3.32
Rot. Bonds5

About (S)-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazol-2-yl]-phenylmethanol

(S)-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazol-2-yl]-phenylmethanol (PubChem CID 99699872) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is (S)-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazol-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazol-2-yl]-phenylmethanol
PubChem CID99699872
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name(S)-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazol-2-yl]-phenylmethanol
SMILESCc1nc2ccccc2n1CCn1ccnc1[C@@H](O)c1ccccc1
InChIInChI=1S/C20H20N4O/c1-15-22-17-9-5-6-10-18(17)24(15)14-13-23-12-11-21-20(23)19(25)16-7-3-2-4-8-16/h2-12,19,25H,13-14H2,1H3/t19-/m0/s1
InChIKeyXWBLKPNKTCPNIV-IBGZPJMESA-N
XLogP3.32
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylbenzimidazol-1-yl)-1-phenylpropan-1-ol
CID 3689671
(1R)-2-(2-methylbenzimidazol-1-yl)-1-phenylethanol
CID 51517940
(S)-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]imidazol-2-yl]-phenylmethanol
CID 99699763
(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
CID 139248448
(S)-(4-fluorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]methanol
CID 99827979
1-[(1-ethylimidazol-2-yl)methyl]-2-methylbenzimidazole
CID 79760580
(R)-[1-(2-methoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 40699008
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
CID 134100901
(S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol
CID 762121
[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995172
(S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 6998450

Frequently Asked Questions

What is the IUPAC name of (S)-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazol-2-yl]-phenylmethanol?
The IUPAC name of (S)-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazol-2-yl]-phenylmethanol (CID 99699872) is (S)-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazol-2-yl]-phenylmethanol.
What is the SMILES notation for (S)-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazol-2-yl]-phenylmethanol?
The canonical SMILES for (S)-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazol-2-yl]-phenylmethanol is Cc1nc2ccccc2n1CCn1ccnc1[C@@H](O)c1ccccc1.
What is the InChIKey of (S)-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazol-2-yl]-phenylmethanol?
The InChIKey is XWBLKPNKTCPNIV-IBGZPJMESA-N. The full InChI is InChI=1S/C20H20N4O/c1-15-22-17-9-5-6-10-18(17)24(15)14-13-23-12-11-21-20(23)19(25)16-7-3-2-4-8-16/h2-12,19,25H,13-14H2,1H3/t19-/m0/s1.
What are the key properties of (S)-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazol-2-yl]-phenylmethanol?
(S)-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazol-2-yl]-phenylmethanol has a molecular weight of 332.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazol-2-yl]-phenylmethanol is sourced from PubChem (CID 99699872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).