2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-1-methylbenzimidazole

C17H21N5 — CID 163346415

IUPAC2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-1-methylbenzimidazole
SMILESCCc1nccn1CC1CN(c2nc3ccccc3n2C)C1
InChIInChI=1S/C17H21N5/c1-3-16-18-8-9-21(16)10-13-11-22(12-13)17-19-14-6-4-5-7-15(14)20(17)2/h4-9,13H,3,10-12H2,1-2H3
InChIKeyZDVQIRVKTCHBHN-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.47
Rot. Bonds4

About 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-1-methylbenzimidazole

2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-1-methylbenzimidazole (PubChem CID 163346415) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-1-methylbenzimidazole
PubChem CID163346415
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-1-methylbenzimidazole
SMILESCCc1nccn1CC1CN(c2nc3ccccc3n2C)C1
InChIInChI=1S/C17H21N5/c1-3-16-18-8-9-21(16)10-13-11-22(12-13)17-19-14-6-4-5-7-15(14)20(17)2/h4-9,13H,3,10-12H2,1-2H3
InChIKeyZDVQIRVKTCHBHN-UHFFFAOYSA-N
XLogP2.47
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-3-methylquinazolin-4-one
CID 163349539
2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]quinoxaline
CID 163346437
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]benzimidazole
CID 126893862
3-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-4-carbonitrile
CID 163349021
2-[3-(difluoromethyl)azetidin-1-yl]-1-methylbenzimidazole
CID 122270125
2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-4-methylsulfonyl-1,3-benzothiazole
CID 163346496
1-methyl-2-[3-(triazol-1-yl)azetidin-1-yl]benzimidazole
CID 121183826
2-ethyl-1-[[1-[(4-fluorophenyl)methyl]azetidin-3-yl]methyl]imidazole
CID 163346092
1-[[1-[(2-chloro-6-fluorophenyl)methyl]azetidin-3-yl]methyl]-2-ethylimidazole
CID 163346161
1-[[1-[(3-bromophenyl)methyl]azetidin-3-yl]methyl]-2-ethylimidazole
CID 163346162
[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 163351672

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-1-methylbenzimidazole?
The IUPAC name of 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-1-methylbenzimidazole (CID 163346415) is 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-1-methylbenzimidazole?
The canonical SMILES for 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-1-methylbenzimidazole is CCc1nccn1CC1CN(c2nc3ccccc3n2C)C1.
What is the InChIKey of 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-1-methylbenzimidazole?
The InChIKey is ZDVQIRVKTCHBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-3-16-18-8-9-21(16)10-13-11-22(12-13)17-19-14-6-4-5-7-15(14)20(17)2/h4-9,13H,3,10-12H2,1-2H3.
What are the key properties of 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-1-methylbenzimidazole?
2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-1-methylbenzimidazole has a molecular weight of 295.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-1-methylbenzimidazole is sourced from PubChem (CID 163346415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).