[3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methylamino]piperidin-1-yl]-phenylmethanone

C24H24N6O — CID 18332676

IUPAC[3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methylamino]piperidin-1-yl]-phenylmethanone
SMILESCN(c1nccc(-n2cnc3ccccc32)n1)C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C24H24N6O/c1-28(19-10-7-15-29(16-19)23(31)18-8-3-2-4-9-18)24-25-14-13-22(27-24)30-17-26-20-11-5-6-12-21(20)30/h2-6,8-9,11-14,17,19H,7,10,15-16H2,1H3
InChIKeyRABKRHYPUUYKFS-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.56
Rot. Bonds4

About [3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methylamino]piperidin-1-yl]-phenylmethanone

[3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methylamino]piperidin-1-yl]-phenylmethanone (PubChem CID 18332676) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is [3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methylamino]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methylamino]piperidin-1-yl]-phenylmethanone
PubChem CID18332676
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name[3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methylamino]piperidin-1-yl]-phenylmethanone
SMILESCN(c1nccc(-n2cnc3ccccc32)n1)C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C24H24N6O/c1-28(19-10-7-15-29(16-19)23(31)18-8-3-2-4-9-18)24-25-14-13-22(27-24)30-17-26-20-11-5-6-12-21(20)30/h2-6,8-9,11-14,17,19H,7,10,15-16H2,1H3
InChIKeyRABKRHYPUUYKFS-UHFFFAOYSA-N
XLogP3.56
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 4-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methylamino]piperidine-1-carboxylate
CID 18332604
[3-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-1-yl]-phenylmethanone
CID 139939767
[4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488829
1-[3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-yl]ethanone
CID 70248883
propan-2-yl 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate
CID 18332623
[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 17475824
[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 155981854
[3-[methyl(1,3-thiazol-2-yl)amino]pyrrolidin-1-yl]-phenylmethanone
CID 70313001
[4-(benzimidazol-1-yl)phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 41038540
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
4-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidine-1-carbonyl]benzonitrile
CID 155981841
[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 95715751

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methylamino]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methylamino]piperidin-1-yl]-phenylmethanone (CID 18332676) is [3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methylamino]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methylamino]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methylamino]piperidin-1-yl]-phenylmethanone is CN(c1nccc(-n2cnc3ccccc32)n1)C1CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of [3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methylamino]piperidin-1-yl]-phenylmethanone?
The InChIKey is RABKRHYPUUYKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-28(19-10-7-15-29(16-19)23(31)18-8-3-2-4-9-18)24-25-14-13-22(27-24)30-17-26-20-11-5-6-12-21(20)30/h2-6,8-9,11-14,17,19H,7,10,15-16H2,1H3.
What are the key properties of [3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methylamino]piperidin-1-yl]-phenylmethanone?
[3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methylamino]piperidin-1-yl]-phenylmethanone has a molecular weight of 412.50 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methylamino]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 18332676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).