4-[(1-methylbenzimidazol-2-yl)methyl]azepan-4-ol

C15H21N3O — CID 103982830

IUPAC4-[(1-methylbenzimidazol-2-yl)methyl]azepan-4-ol
SMILESCn1c(CC2(O)CCCNCC2)nc2ccccc21
InChIInChI=1S/C15H21N3O/c1-18-13-6-3-2-5-12(13)17-14(18)11-15(19)7-4-9-16-10-8-15/h2-3,5-6,16,19H,4,7-11H2,1H3
InChIKeyXBJQTAKOCWKICE-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.62
Rot. Bonds2

About 4-[(1-methylbenzimidazol-2-yl)methyl]azepan-4-ol

4-[(1-methylbenzimidazol-2-yl)methyl]azepan-4-ol (PubChem CID 103982830) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[(1-methylbenzimidazol-2-yl)methyl]azepan-4-ol.

Molecular Properties

Compound Name4-[(1-methylbenzimidazol-2-yl)methyl]azepan-4-ol
PubChem CID103982830
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-[(1-methylbenzimidazol-2-yl)methyl]azepan-4-ol
SMILESCn1c(CC2(O)CCCNCC2)nc2ccccc21
InChIInChI=1S/C15H21N3O/c1-18-13-6-3-2-5-12(13)17-14(18)11-15(19)7-4-9-16-10-8-15/h2-3,5-6,16,19H,4,7-11H2,1H3
InChIKeyXBJQTAKOCWKICE-UHFFFAOYSA-N
XLogP1.62
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1-methylbenzimidazol-2-yl)methyl]azepan-4-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

4-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol
CID 79754553
2-(1-methylbenzimidazol-2-yl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567574
1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 79753348
3-[(1-methylbenzimidazol-2-yl)methyl]-1,1-dioxothiolan-3-ol
CID 79753747
4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-ol
CID 18319925
3-methoxy-1-[(1-methylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 106823868
2-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-ol
CID 79754404
2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]cyclohexan-1-ol
CID 79753321
4-(1,3-benzothiazol-2-ylmethyl)azepan-4-ol
CID 103982930
1-[(1-methylbenzimidazol-2-yl)methyl]cycloheptane-1-carboxylic acid
CID 43470977
2-[(1-methylbenzimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 56717836
2-[1-[(1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid
CID 61070767

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylbenzimidazol-2-yl)methyl]azepan-4-ol?
The IUPAC name of 4-[(1-methylbenzimidazol-2-yl)methyl]azepan-4-ol (CID 103982830) is 4-[(1-methylbenzimidazol-2-yl)methyl]azepan-4-ol.
What is the SMILES notation for 4-[(1-methylbenzimidazol-2-yl)methyl]azepan-4-ol?
The canonical SMILES for 4-[(1-methylbenzimidazol-2-yl)methyl]azepan-4-ol is Cn1c(CC2(O)CCCNCC2)nc2ccccc21.
What is the InChIKey of 4-[(1-methylbenzimidazol-2-yl)methyl]azepan-4-ol?
The InChIKey is XBJQTAKOCWKICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18-13-6-3-2-5-12(13)17-14(18)11-15(19)7-4-9-16-10-8-15/h2-3,5-6,16,19H,4,7-11H2,1H3.
What are the key properties of 4-[(1-methylbenzimidazol-2-yl)methyl]azepan-4-ol?
4-[(1-methylbenzimidazol-2-yl)methyl]azepan-4-ol has a molecular weight of 259.35 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylbenzimidazol-2-yl)methyl]azepan-4-ol is sourced from PubChem (CID 103982830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).