azetidin-1-yl-[3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]methanone

C21H19N5O — CID 137490311

IUPACazetidin-1-yl-[3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]methanone
SMILESCn1cc(-c2ccc(-n3cnc4ccc(C(=O)N5CCC5)cc43)cc2)cn1
InChIInChI=1S/C21H19N5O/c1-24-13-17(12-23-24)15-3-6-18(7-4-15)26-14-22-19-8-5-16(11-20(19)26)21(27)25-9-2-10-25/h3-8,11-14H,2,9-10H2,1H3
InChIKeyIDWSAXQQSMAOJR-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.27
Rot. Bonds3

About azetidin-1-yl-[3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]methanone

azetidin-1-yl-[3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]methanone (PubChem CID 137490311) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is azetidin-1-yl-[3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]methanone
PubChem CID137490311
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Nameazetidin-1-yl-[3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]methanone
SMILESCn1cc(-c2ccc(-n3cnc4ccc(C(=O)N5CCC5)cc43)cc2)cn1
InChIInChI=1S/C21H19N5O/c1-24-13-17(12-23-24)15-3-6-18(7-4-15)26-14-22-19-8-5-16(11-20(19)26)21(27)25-9-2-10-25/h3-8,11-14H,2,9-10H2,1H3
InChIKeyIDWSAXQQSMAOJR-UHFFFAOYSA-N
XLogP3.27
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-(azetidine-1-carbonyl)benzimidazol-1-yl]-N-methylsulfonylbenzamide
CID 137490400
azepan-1-yl-(3-methylbenzimidazol-5-yl)methanone
CID 110469131
[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-(azetidin-1-yl)methanone
CID 118660637
[1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 71307830
2-[4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetic acid
CID 118559083
[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 17475824
[6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanone
CID 137490340
4-(benzimidazol-1-yl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 55950490
3-(4-iodophenyl)benzimidazole-5-carboxylic acid
CID 82790830
1,4-diazepan-1-yl-(3-methylbenzimidazol-5-yl)methanone
CID 110469134
[4-(benzimidazol-1-yl)phenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 22109870
3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 169417027

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]methanone?
The IUPAC name of azetidin-1-yl-[3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]methanone (CID 137490311) is azetidin-1-yl-[3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]methanone?
The canonical SMILES for azetidin-1-yl-[3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]methanone is Cn1cc(-c2ccc(-n3cnc4ccc(C(=O)N5CCC5)cc43)cc2)cn1.
What is the InChIKey of azetidin-1-yl-[3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]methanone?
The InChIKey is IDWSAXQQSMAOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-24-13-17(12-23-24)15-3-6-18(7-4-15)26-14-22-19-8-5-16(11-20(19)26)21(27)25-9-2-10-25/h3-8,11-14H,2,9-10H2,1H3.
What are the key properties of azetidin-1-yl-[3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]methanone?
azetidin-1-yl-[3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]methanone has a molecular weight of 357.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]methanone is sourced from PubChem (CID 137490311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).