(2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone

C14H10ClN3O — CID 1088433

IUPAC(2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone
SMILESNc1nc2ccccc2n1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClN3O/c15-10-7-5-9(6-8-10)13(19)18-12-4-2-1-3-11(12)17-14(18)16/h1-8H,(H2,16,17)
InChIKeyISJOFQJDQQHGST-UHFFFAOYSA-N
MW271.71 g/mol
LogP2.96
Rot. Bonds1

About (2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone

(2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone (PubChem CID 1088433) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is (2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone
PubChem CID1088433
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name(2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone
SMILESNc1nc2ccccc2n1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClN3O/c15-10-7-5-9(6-8-10)13(19)18-12-4-2-1-3-11(12)17-14(18)16/h1-8H,(H2,16,17)
InChIKeyISJOFQJDQQHGST-UHFFFAOYSA-N
XLogP2.96
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone (CID 1088433) is (2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone is Nc1nc2ccccc2n1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone?
The InChIKey is ISJOFQJDQQHGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-10-7-5-9(6-8-10)13(19)18-12-4-2-1-3-11(12)17-14(18)16/h1-8H,(H2,16,17).
What are the key properties of (2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone?
(2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone has a molecular weight of 271.71 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 1088433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).