N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-1H-benzimidazol-2-amine

C19H21N3O2 — CID 133410920

IUPACN-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-1H-benzimidazol-2-amine
SMILESCc1ccc(CNc2nc3ccccc3[nH]2)c(OC2CCOC2)c1
InChIInChI=1S/C19H21N3O2/c1-13-6-7-14(18(10-13)24-15-8-9-23-12-15)11-20-19-21-16-4-2-3-5-17(16)22-19/h2-7,10,15H,8-9,11-12H2,1H3,(H2,20,21,22)
InChIKeyAZRKTPUEJIQBTF-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.65
Rot. Bonds5

About N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-1H-benzimidazol-2-amine

N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-1H-benzimidazol-2-amine (PubChem CID 133410920) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-1H-benzimidazol-2-amine
PubChem CID133410920
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-1H-benzimidazol-2-amine
SMILESCc1ccc(CNc2nc3ccccc3[nH]2)c(OC2CCOC2)c1
InChIInChI=1S/C19H21N3O2/c1-13-6-7-14(18(10-13)24-15-8-9-23-12-15)11-20-19-21-16-4-2-3-5-17(16)22-19/h2-7,10,15H,8-9,11-12H2,1H3,(H2,20,21,22)
InChIKeyAZRKTPUEJIQBTF-UHFFFAOYSA-N
XLogP3.65
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-1H-benzimidazol-2-amine (CID 133410920) is N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-1H-benzimidazol-2-amine is Cc1ccc(CNc2nc3ccccc3[nH]2)c(OC2CCOC2)c1.
What is the InChIKey of N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-1H-benzimidazol-2-amine?
The InChIKey is AZRKTPUEJIQBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-6-7-14(18(10-13)24-15-8-9-23-12-15)11-20-19-21-16-4-2-3-5-17(16)22-19/h2-7,10,15H,8-9,11-12H2,1H3,(H2,20,21,22).
What are the key properties of N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-1H-benzimidazol-2-amine?
N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-1H-benzimidazol-2-amine has a molecular weight of 323.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 133410920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).