3-[(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]phenol

C14H17N3O — CID 115066165

IUPAC3-[(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]phenol
SMILESNC1CCc2nc(Cc3cccc(O)c3)[nH]c2C1
InChIInChI=1S/C14H17N3O/c15-10-4-5-12-13(8-10)17-14(16-12)7-9-2-1-3-11(18)6-9/h1-3,6,10,18H,4-5,7-8,15H2,(H,16,17)
InChIKeyAFKMTALIVLCBTF-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.52
Rot. Bonds2

About 3-[(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]phenol

3-[(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]phenol (PubChem CID 115066165) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]phenol
PubChem CID115066165
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-[(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]phenol
SMILESNC1CCc2nc(Cc3cccc(O)c3)[nH]c2C1
InChIInChI=1S/C14H17N3O/c15-10-4-5-12-13(8-10)17-14(16-12)7-9-2-1-3-11(18)6-9/h1-3,6,10,18H,4-5,7-8,15H2,(H,16,17)
InChIKeyAFKMTALIVLCBTF-UHFFFAOYSA-N
XLogP1.52
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
CID 115003886
3-[(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]phenol
CID 115066915
2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid
CID 115066146
(2-benzyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanamine
CID 82387272
2-(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanol
CID 83436593
2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]phenol
CID 115066191
3-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phenol
CID 115066856
3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 55228667
2-[(3-bromophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine
CID 115066599
2-cyclohexyl-N-[2-[(3-hydroxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide
CID 163397660
2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid
CID 115066197
3-[[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]phenol
CID 105392056

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]phenol?
The IUPAC name of 3-[(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]phenol (CID 115066165) is 3-[(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]phenol.
What is the SMILES notation for 3-[(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]phenol?
The canonical SMILES for 3-[(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]phenol is NC1CCc2nc(Cc3cccc(O)c3)[nH]c2C1.
What is the InChIKey of 3-[(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]phenol?
The InChIKey is AFKMTALIVLCBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-10-4-5-12-13(8-10)17-14(16-12)7-9-2-1-3-11(18)6-9/h1-3,6,10,18H,4-5,7-8,15H2,(H,16,17).
What are the key properties of 3-[(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]phenol?
3-[(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]phenol has a molecular weight of 243.31 g/mol, XLogP of 1.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]phenol is sourced from PubChem (CID 115066165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).