2-methyl-N-(oxepan-4-yl)-3H-benzimidazol-5-amine

C14H19N3O — CID 65082102

IUPAC2-methyl-N-(oxepan-4-yl)-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NC3CCCOCC3)cc2[nH]1
InChIInChI=1S/C14H19N3O/c1-10-15-13-5-4-12(9-14(13)16-10)17-11-3-2-7-18-8-6-11/h4-5,9,11,17H,2-3,6-8H2,1H3,(H,15,16)
InChIKeyWGIHATNCSBTBNB-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.85
Rot. Bonds2

About 2-methyl-N-(oxepan-4-yl)-3H-benzimidazol-5-amine

2-methyl-N-(oxepan-4-yl)-3H-benzimidazol-5-amine (PubChem CID 65082102) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methyl-N-(oxepan-4-yl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-(oxepan-4-yl)-3H-benzimidazol-5-amine
PubChem CID65082102
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-methyl-N-(oxepan-4-yl)-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NC3CCCOCC3)cc2[nH]1
InChIInChI=1S/C14H19N3O/c1-10-15-13-5-4-12(9-14(13)16-10)17-11-3-2-7-18-8-6-11/h4-5,9,11,17H,2-3,6-8H2,1H3,(H,15,16)
InChIKeyWGIHATNCSBTBNB-UHFFFAOYSA-N
XLogP2.85
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-(oxepan-4-yl)-3H-benzimidazol-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxepan-4-yl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-methyl-N-(oxepan-4-yl)-3H-benzimidazol-5-amine (CID 65082102) is 2-methyl-N-(oxepan-4-yl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-methyl-N-(oxepan-4-yl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-methyl-N-(oxepan-4-yl)-3H-benzimidazol-5-amine is Cc1nc2ccc(NC3CCCOCC3)cc2[nH]1.
What is the InChIKey of 2-methyl-N-(oxepan-4-yl)-3H-benzimidazol-5-amine?
The InChIKey is WGIHATNCSBTBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-15-13-5-4-12(9-14(13)16-10)17-11-3-2-7-18-8-6-11/h4-5,9,11,17H,2-3,6-8H2,1H3,(H,15,16).
What are the key properties of 2-methyl-N-(oxepan-4-yl)-3H-benzimidazol-5-amine?
2-methyl-N-(oxepan-4-yl)-3H-benzimidazol-5-amine has a molecular weight of 245.33 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxepan-4-yl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 65082102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).