2-[(4-methoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol

C15H20N2O2 — CID 115065953

IUPAC2-[(4-methoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
SMILESCOc1ccc(CC2=NC3CCC(O)CC3N2)cc1
InChIInChI=1S/C15H20N2O2/c1-19-12-5-2-10(3-6-12)8-15-16-13-7-4-11(18)9-14(13)17-15/h2-3,5-6,11,13-14,18H,4,7-9H2,1H3,(H,16,17)
InChIKeyDHMTWJYNJQEPDI-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.52
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol

2-[(4-methoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol (PubChem CID 115065953) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
PubChem CID115065953
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[(4-methoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
SMILESCOc1ccc(CC2=NC3CCC(O)CC3N2)cc1
InChIInChI=1S/C15H20N2O2/c1-19-12-5-2-10(3-6-12)8-15-16-13-7-4-11(18)9-14(13)17-15/h2-3,5-6,11,13-14,18H,4,7-9H2,1H3,(H,16,17)
InChIKeyDHMTWJYNJQEPDI-UHFFFAOYSA-N
XLogP1.52
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-5-ol
CID 115065955
cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 11506917
3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 65444252
4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63349298
2-(4-methoxyphenyl)-3a,4,5,6,7,7a-hexahydro-3H-benzimidazole-5-carboxylic acid
CID 115065767
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 103270839
2-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol
CID 115066633
5-amino-2-[(4-methoxyphenyl)methyl]-1H-pyrimidine-4,6-dione
CID 82171083
4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106133202
3-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclobutan-1-ol
CID 66005906
8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63768377

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol (CID 115065953) is 2-[(4-methoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol is COc1ccc(CC2=NC3CCC(O)CC3N2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol?
The InChIKey is DHMTWJYNJQEPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-19-12-5-2-10(3-6-12)8-15-16-13-7-4-11(18)9-14(13)17-15/h2-3,5-6,11,13-14,18H,4,7-9H2,1H3,(H,16,17).
What are the key properties of 2-[(4-methoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol?
2-[(4-methoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol has a molecular weight of 260.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol is sourced from PubChem (CID 115065953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).