2-methyl-1-[1-(1-phenylethyl)azetidin-3-yl]benzimidazole

C19H21N3 — CID 139028174

IUPAC2-methyl-1-[1-(1-phenylethyl)azetidin-3-yl]benzimidazole
SMILESCc1nc2ccccc2n1C1CN(C(C)c2ccccc2)C1
InChIInChI=1S/C19H21N3/c1-14(16-8-4-3-5-9-16)21-12-17(13-21)22-15(2)20-18-10-6-7-11-19(18)22/h3-11,14,17H,12-13H2,1-2H3
InChIKeyKSLFFZGVTNAXIQ-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.96
Rot. Bonds3

About 2-methyl-1-[1-(1-phenylethyl)azetidin-3-yl]benzimidazole

2-methyl-1-[1-(1-phenylethyl)azetidin-3-yl]benzimidazole (PubChem CID 139028174) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-methyl-1-[1-(1-phenylethyl)azetidin-3-yl]benzimidazole.

Molecular Properties

Compound Name2-methyl-1-[1-(1-phenylethyl)azetidin-3-yl]benzimidazole
PubChem CID139028174
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name2-methyl-1-[1-(1-phenylethyl)azetidin-3-yl]benzimidazole
SMILESCc1nc2ccccc2n1C1CN(C(C)c2ccccc2)C1
InChIInChI=1S/C19H21N3/c1-14(16-8-4-3-5-9-16)21-12-17(13-21)22-15(2)20-18-10-6-7-11-19(18)22/h3-11,14,17H,12-13H2,1-2H3
InChIKeyKSLFFZGVTNAXIQ-UHFFFAOYSA-N
XLogP3.96
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(1-phenylethyl)azetidin-3-yl]benzimidazole?
The IUPAC name of 2-methyl-1-[1-(1-phenylethyl)azetidin-3-yl]benzimidazole (CID 139028174) is 2-methyl-1-[1-(1-phenylethyl)azetidin-3-yl]benzimidazole.
What is the SMILES notation for 2-methyl-1-[1-(1-phenylethyl)azetidin-3-yl]benzimidazole?
The canonical SMILES for 2-methyl-1-[1-(1-phenylethyl)azetidin-3-yl]benzimidazole is Cc1nc2ccccc2n1C1CN(C(C)c2ccccc2)C1.
What is the InChIKey of 2-methyl-1-[1-(1-phenylethyl)azetidin-3-yl]benzimidazole?
The InChIKey is KSLFFZGVTNAXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-14(16-8-4-3-5-9-16)21-12-17(13-21)22-15(2)20-18-10-6-7-11-19(18)22/h3-11,14,17H,12-13H2,1-2H3.
What are the key properties of 2-methyl-1-[1-(1-phenylethyl)azetidin-3-yl]benzimidazole?
2-methyl-1-[1-(1-phenylethyl)azetidin-3-yl]benzimidazole has a molecular weight of 291.40 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(1-phenylethyl)azetidin-3-yl]benzimidazole is sourced from PubChem (CID 139028174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).