2-amino-3-(4-methylphenyl)benzimidazol-4-ol

C14H13N3O — CID 84799605

IUPAC2-amino-3-(4-methylphenyl)benzimidazol-4-ol
SMILESCc1ccc(-n2c(N)nc3cccc(O)c32)cc1
InChIInChI=1S/C14H13N3O/c1-9-5-7-10(8-6-9)17-13-11(16-14(17)15)3-2-4-12(13)18/h2-8,18H,1H3,(H2,15,16)
InChIKeyIWOATGADWDQXLA-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.62
Rot. Bonds1

About 2-amino-3-(4-methylphenyl)benzimidazol-4-ol

2-amino-3-(4-methylphenyl)benzimidazol-4-ol (PubChem CID 84799605) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-amino-3-(4-methylphenyl)benzimidazol-4-ol.

Molecular Properties

Compound Name2-amino-3-(4-methylphenyl)benzimidazol-4-ol
PubChem CID84799605
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-amino-3-(4-methylphenyl)benzimidazol-4-ol
SMILESCc1ccc(-n2c(N)nc3cccc(O)c32)cc1
InChIInChI=1S/C14H13N3O/c1-9-5-7-10(8-6-9)17-13-11(16-14(17)15)3-2-4-12(13)18/h2-8,18H,1H3,(H2,15,16)
InChIKeyIWOATGADWDQXLA-UHFFFAOYSA-N
XLogP2.62
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-6-methylbenzimidazol-1-yl)phenol
CID 84799602
7-chloro-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-amine
CID 114286165
1-(3-bromo-4-methylphenyl)-7-methylbenzimidazol-2-amine
CID 115552506
1-(3-methoxyphenyl)-7-methylbenzimidazol-2-amine
CID 115552236
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylbenzimidazol-2-amine
CID 115552214
3-(2-amino-5-methylbenzimidazol-1-yl)phenol
CID 84799591
6-bromo-1-(4-methylphenyl)benzimidazol-2-amine
CID 65347163
2,8,14,20,26,32-hexakis(4-methylphenyl)-2,8,14,20,26,32,37,38,39,40,41,42-dodecazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene
CID 101355765
1-(4-methylphenyl)-1,2,4-triazole-3,5-diamine
CID 21455595
4,6-diamino-1-(4-methylphenyl)-1,3,5-triazin-2-one
CID 13111420
5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine
CID 66077135
2-amino-3-(3,5-dimethylphenyl)benzimidazol-5-ol
CID 102225118

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methylphenyl)benzimidazol-4-ol?
The IUPAC name of 2-amino-3-(4-methylphenyl)benzimidazol-4-ol (CID 84799605) is 2-amino-3-(4-methylphenyl)benzimidazol-4-ol.
What is the SMILES notation for 2-amino-3-(4-methylphenyl)benzimidazol-4-ol?
The canonical SMILES for 2-amino-3-(4-methylphenyl)benzimidazol-4-ol is Cc1ccc(-n2c(N)nc3cccc(O)c32)cc1.
What is the InChIKey of 2-amino-3-(4-methylphenyl)benzimidazol-4-ol?
The InChIKey is IWOATGADWDQXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-5-7-10(8-6-9)17-13-11(16-14(17)15)3-2-4-12(13)18/h2-8,18H,1H3,(H2,15,16).
What are the key properties of 2-amino-3-(4-methylphenyl)benzimidazol-4-ol?
2-amino-3-(4-methylphenyl)benzimidazol-4-ol has a molecular weight of 239.28 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-methylphenyl)benzimidazol-4-ol is sourced from PubChem (CID 84799605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).