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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Related Compounds

4-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylbutanenitrile
CID 66868444
3-(2-methylbenzimidazol-1-yl)thietane 1,1-dioxide
CID 139266953
2-methyl-1-[(3S)-pyrrolidin-3-yl]benzimidazole;hydrochloride
CID 162422976
1-[1-[3-(4-iodophenyl)-3-phenylpropyl]piperidin-4-yl]-2-methylbenzimidazole
CID 58282556
[(1S)-3-[7-(2-methylbenzimidazol-1-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl]-1-phenylpropyl]carbamic acid
CID 67082176
N-[(1S)-3-[(1R,5S)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]azetidine-3-carboxamide
CID 70030480
[1-amino-3-(2-methylbenzimidazol-1-yl)cyclopentyl]methanol
CID 79648173
1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole
CID 21193036
2-(2-fluorophenoxy)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one
CID 139028221
[1-amino-3-(2-methylbenzimidazol-1-yl)cyclohexyl]methanol
CID 79640325
3,3,3-trifluoro-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]propanamide
CID 67082091
1-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-((18F)fluoromethyl)benzimidazole;1-[1-[3-(4-iodophenyl)-3-phenylpropyl]piperidin-4-yl]-2-methylbenzimidazole
CID 158059455

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).