[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone

C23H21N5O — CID 44565605

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-c2ccccc2)nc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C23H21N5O/c29-23(18-14-24-21(25-15-18)16-6-2-1-3-7-16)28-12-10-17(11-13-28)22-26-19-8-4-5-9-20(19)27-22/h1-9,14-15,17H,10-13H2,(H,26,27)
InChIKeyFXGMHRLPYAGZEY-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.04
Rot. Bonds3

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone (PubChem CID 44565605) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
PubChem CID44565605
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-c2ccccc2)nc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C23H21N5O/c29-23(18-14-24-21(25-15-18)16-6-2-1-3-7-16)28-12-10-17(11-13-28)22-26-19-8-4-5-9-20(19)27-22/h1-9,14-15,17H,10-13H2,(H,26,27)
InChIKeyFXGMHRLPYAGZEY-UHFFFAOYSA-N
XLogP4.04
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(3-methoxyphenyl)-3-pyridinyl]methanone
CID 46851997
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone
CID 33112285
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 35348252
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone
CID 46851512
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone
CID 37437294
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 43981442
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone
CID 138034009
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone
CID 46851674
[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 51137015
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 55762093

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone (CID 44565605) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone is O=C(c1cnc(-c2ccccc2)nc1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone?
The InChIKey is FXGMHRLPYAGZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c29-23(18-14-24-21(25-15-18)16-6-2-1-3-7-16)28-12-10-17(11-13-28)22-26-19-8-4-5-9-20(19)27-22/h1-9,14-15,17H,10-13H2,(H,26,27).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone has a molecular weight of 383.46 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone is sourced from PubChem (CID 44565605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).