[2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone

C23H17ClN4O — CID 39071198

IUPAC[2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone
SMILESCc1ccc2nc(-c3c(N)c(C(=O)c4ccc(Cl)cc4)n4ccccc34)[nH]c2c1
InChIInChI=1S/C23H17ClN4O/c1-13-5-10-16-17(12-13)27-23(26-16)19-18-4-2-3-11-28(18)21(20(19)25)22(29)14-6-8-15(24)9-7-14/h2-12H,25H2,1H3,(H,26,27)
InChIKeyAJUYLUANDZHNBL-UHFFFAOYSA-N
MW400.87 g/mol
LogP5.26
Rot. Bonds3

About [2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone

[2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone (PubChem CID 39071198) has the molecular formula C23H17ClN4O and a molecular weight of 400.87 g/mol. Its IUPAC name is [2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone
PubChem CID39071198
Molecular FormulaC23H17ClN4O
Molecular Weight400.87 g/mol
Exact Mass400.11
IUPAC Name[2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone
SMILESCc1ccc2nc(-c3c(N)c(C(=O)c4ccc(Cl)cc4)n4ccccc34)[nH]c2c1
InChIInChI=1S/C23H17ClN4O/c1-13-5-10-16-17(12-13)27-23(26-16)19-18-4-2-3-11-28(18)21(20(19)25)22(29)14-6-8-15(24)9-7-14/h2-12H,25H2,1H3,(H,26,27)
InChIKeyAJUYLUANDZHNBL-UHFFFAOYSA-N
XLogP5.26
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.87
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone (CID 39071198) is [2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone is Cc1ccc2nc(-c3c(N)c(C(=O)c4ccc(Cl)cc4)n4ccccc34)[nH]c2c1.
What is the InChIKey of [2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone?
The InChIKey is AJUYLUANDZHNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O/c1-13-5-10-16-17(12-13)27-23(26-16)19-18-4-2-3-11-28(18)21(20(19)25)22(29)14-6-8-15(24)9-7-14/h2-12H,25H2,1H3,(H,26,27).
What are the key properties of [2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone?
[2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone has a molecular weight of 400.87 g/mol, XLogP of 5.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 39071198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).