(4-chloro-1H-benzimidazol-2-yl)-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone

C21H16ClN5O — CID 58546718

IUPAC(4-chloro-1H-benzimidazol-2-yl)-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone
SMILESO=C(c1nc2c(Cl)cccc2[nH]1)N1CC(c2nccnc2-c2ccccc2)C1
InChIInChI=1S/C21H16ClN5O/c22-15-7-4-8-16-19(15)26-20(25-16)21(28)27-11-14(12-27)18-17(23-9-10-24-18)13-5-2-1-3-6-13/h1-10,14H,11-12H2,(H,25,26)
InChIKeyOLVXUJLAMOMDMQ-UHFFFAOYSA-N
MW389.85 g/mol
LogP3.91
Rot. Bonds3

About (4-chloro-1H-benzimidazol-2-yl)-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone

(4-chloro-1H-benzimidazol-2-yl)-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone (PubChem CID 58546718) has the molecular formula C21H16ClN5O and a molecular weight of 389.85 g/mol. Its IUPAC name is (4-chloro-1H-benzimidazol-2-yl)-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1H-benzimidazol-2-yl)-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone
PubChem CID58546718
Molecular FormulaC21H16ClN5O
Molecular Weight389.85 g/mol
Exact Mass389.10
IUPAC Name(4-chloro-1H-benzimidazol-2-yl)-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone
SMILESO=C(c1nc2c(Cl)cccc2[nH]1)N1CC(c2nccnc2-c2ccccc2)C1
InChIInChI=1S/C21H16ClN5O/c22-15-7-4-8-16-19(15)26-20(25-16)21(28)27-11-14(12-27)18-17(23-9-10-24-18)13-5-2-1-3-6-13/h1-10,14H,11-12H2,(H,25,26)
InChIKeyOLVXUJLAMOMDMQ-UHFFFAOYSA-N
XLogP3.91
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.85
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-chloro-1H-benzimidazol-2-yl)-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide
CID 156027237
1H-Benzimidazole-2-carboxamide, N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]-1-(phenylmethyl)-
CID 25105469
[1-[3-(3-chlorophenyl)-5-(4,6-difluoro-1H-benzimidazol-2-yl)-4-pyridinyl]azetidin-3-yl]methanamine
CID 139392693
1-[1-[3-(3-chloro-5-fluorophenyl)-5-(4,6-difluoro-1H-benzimidazol-2-yl)-4-pyridinyl]azetidin-3-yl]ethanamine
CID 139392904
3-{3-Benzyl-3H-imidazo[4,5-B]pyridin-2-YL}-N-[(3-chlorophenyl)methyl]propanamide
CID 16009054
3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide
CID 20867287
2-(4-chlorophenyl)-N-(3-pyridinyl)-3H-imidazo[4,5-b]pyridine-3-acetamide
CID 14390216
7-(6-chloro-1H-benzo[d]imidazol-2-yl)-2-(3-chloro-4-fluorophenyl)-3-(pyridin-2-yl)-2,7-diazaspiro[3.5]nonan-1-one
CID 24936279
N-(4-chlorophenyl)-2-[2-(2-pyridyl)benzimidazol-1-yl]acetamide
CID 44024165
4-[4-(6-Chloro-1H-benzoimidazol-2-ylmethyl)-2-oxo-piperazin-1-ylmethyl]-benzamidine
CID 44383311
1-(4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)piperidin-1-yl)-2-(methylamino)ethanone
CID 44440228
3-(1H-benzimidazol-2-yl)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]propanamide
CID 44544265

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-benzimidazol-2-yl)-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone?
The IUPAC name of (4-chloro-1H-benzimidazol-2-yl)-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone (CID 58546718) is (4-chloro-1H-benzimidazol-2-yl)-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1H-benzimidazol-2-yl)-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1H-benzimidazol-2-yl)-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone is O=C(c1nc2c(Cl)cccc2[nH]1)N1CC(c2nccnc2-c2ccccc2)C1.
What is the InChIKey of (4-chloro-1H-benzimidazol-2-yl)-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone?
The InChIKey is OLVXUJLAMOMDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5O/c22-15-7-4-8-16-19(15)26-20(25-16)21(28)27-11-14(12-27)18-17(23-9-10-24-18)13-5-2-1-3-6-13/h1-10,14H,11-12H2,(H,25,26).
What are the key properties of (4-chloro-1H-benzimidazol-2-yl)-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone?
(4-chloro-1H-benzimidazol-2-yl)-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone has a molecular weight of 389.85 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-benzimidazol-2-yl)-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 58546718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).