[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone

C22H21N5O — CID 40791033

IUPAC[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone
SMILESO=C(c1cncn1-c1ccccc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C22H21N5O/c28-22(20-13-23-15-27(20)17-8-2-1-3-9-17)26-12-6-7-16(14-26)21-24-18-10-4-5-11-19(18)25-21/h1-5,8-11,13,15-16H,6-7,12,14H2,(H,24,25)/t16-/m0/s1
InChIKeySWRFQHBIGWNTLE-INIZCTEOSA-N
MW371.44 g/mol
LogP3.77
Rot. Bonds3

About [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone

[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone (PubChem CID 40791033) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone
PubChem CID40791033
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone
SMILESO=C(c1cncn1-c1ccccc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C22H21N5O/c28-22(20-13-23-15-27(20)17-8-2-1-3-9-17)26-12-6-7-16(14-26)21-24-18-10-4-5-11-19(18)25-21/h1-5,8-11,13,15-16H,6-7,12,14H2,(H,24,25)/t16-/m0/s1
InChIKeySWRFQHBIGWNTLE-INIZCTEOSA-N
XLogP3.77
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-phenylimidazol-4-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

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 91946785
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 51329202
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 110258767
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 55483800
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone
CID 45192074
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110404095
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone?
The IUPAC name of [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone (CID 40791033) is [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone is O=C(c1cncn1-c1ccccc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1.
What is the InChIKey of [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone?
The InChIKey is SWRFQHBIGWNTLE-INIZCTEOSA-N. The full InChI is InChI=1S/C22H21N5O/c28-22(20-13-23-15-27(20)17-8-2-1-3-9-17)26-12-6-7-16(14-26)21-24-18-10-4-5-11-19(18)25-21/h1-5,8-11,13,15-16H,6-7,12,14H2,(H,24,25)/t16-/m0/s1.
What are the key properties of [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone?
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone has a molecular weight of 371.44 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone is sourced from PubChem (CID 40791033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).