2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole

C23H21N3 — CID 166392326

IUPAC2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole
SMILESc1ccc(-c2ccc(CN3CC(c4nc5ccccc5[nH]4)C3)cc2)cc1
InChIInChI=1S/C23H21N3/c1-2-6-18(7-3-1)19-12-10-17(11-13-19)14-26-15-20(16-26)23-24-21-8-4-5-9-22(21)25-23/h1-13,20H,14-16H2,(H,24,25)
InChIKeyDXJNXOUEPAHHKU-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.83
Rot. Bonds4

About 2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole

2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole (PubChem CID 166392326) has the molecular formula C23H21N3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole
PubChem CID166392326
Molecular FormulaC23H21N3
Molecular Weight339.44 g/mol
Exact Mass339.17
IUPAC Name2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole
SMILESc1ccc(-c2ccc(CN3CC(c4nc5ccccc5[nH]4)C3)cc2)cc1
InChIInChI=1S/C23H21N3/c1-2-6-18(7-3-1)19-12-10-17(11-13-19)14-26-15-20(16-26)23-24-21-8-4-5-9-22(21)25-23/h1-13,20H,14-16H2,(H,24,25)
InChIKeyDXJNXOUEPAHHKU-UHFFFAOYSA-N
XLogP4.83
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline
CID 51049790
3-[4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]phenyl]prop-2-yn-1-ol
CID 77083335
4-[[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 75131931
2-(1-propylazetidin-3-yl)-1H-benzimidazole
CID 141153066
2-[1-[(3-chloro-4-pyridinyl)methyl]azetidin-3-yl]-1H-benzimidazole
CID 77091645
2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole
CID 66763355
2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 135290527
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-6-methoxy-3-phenylquinoxaline
CID 51049798
(1S)-2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-phenylethanol
CID 124756300
2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 51137111
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
2-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 16802957

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole (CID 166392326) is 2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole is c1ccc(-c2ccc(CN3CC(c4nc5ccccc5[nH]4)C3)cc2)cc1.
What is the InChIKey of 2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole?
The InChIKey is DXJNXOUEPAHHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3/c1-2-6-18(7-3-1)19-12-10-17(11-13-19)14-26-15-20(16-26)23-24-21-8-4-5-9-22(21)25-23/h1-13,20H,14-16H2,(H,24,25).
What are the key properties of 2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole?
2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole has a molecular weight of 339.44 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole is sourced from PubChem (CID 166392326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).