[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone

C24H22N4O — CID 44565640

IUPAC[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H22N4O/c29-23(20-12-10-19(11-13-20)18-6-2-1-3-7-18)27-14-16-28(17-15-27)24-25-21-8-4-5-9-22(21)26-24/h1-13H,14-17H2,(H,25,26)
InChIKeyOAJQDPZNYNKFBE-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.19
Rot. Bonds3

About [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone

[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 44565640) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
PubChem CID44565640
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H22N4O/c29-23(20-12-10-19(11-13-20)18-6-2-1-3-7-18)27-14-16-28(17-15-27)24-25-21-8-4-5-9-22(21)26-24/h1-13H,14-17H2,(H,25,26)
InChIKeyOAJQDPZNYNKFBE-UHFFFAOYSA-N
XLogP4.19
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone
CID 110376496
4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid
CID 18425264
[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-iodophenyl)methanone
CID 133282698
[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-(2-chloro-6-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 86942580
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 133410090
[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-[5-[4-(6-hydroxynaphthalen-2-yl)phenyl]-1,2-oxazol-3-yl]methanone
CID 172894617
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]prop-2-en-1-one
CID 126816820
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one
CID 133282678
[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 8779428
(4-fluorophenyl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 46093007
1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone (CID 44565640) is [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is OAJQDPZNYNKFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c29-23(20-12-10-19(11-13-20)18-6-2-1-3-7-18)27-14-16-28(17-15-27)24-25-21-8-4-5-9-22(21)26-24/h1-13H,14-17H2,(H,25,26).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone?
[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 382.47 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 44565640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).