2-[[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one

C22H28N6O — CID 46980189

IUPAC2-[[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
SMILESCc1nc(CCc2nc3ccccc3[nH]2)cc(NC(C)C(=O)N2CCCCC2)n1
InChIInChI=1S/C22H28N6O/c1-15(22(29)28-12-6-3-7-13-28)23-21-14-17(24-16(2)25-21)10-11-20-26-18-8-4-5-9-19(18)27-20/h4-5,8-9,14-15H,3,6-7,10-13H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyPZXKBAUZCUABBA-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.26
Rot. Bonds6

About 2-[[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one

2-[[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 46980189) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 2-[[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
PubChem CID46980189
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name2-[[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
SMILESCc1nc(CCc2nc3ccccc3[nH]2)cc(NC(C)C(=O)N2CCCCC2)n1
InChIInChI=1S/C22H28N6O/c1-15(22(29)28-12-6-3-7-13-28)23-21-14-17(24-16(2)25-21)10-11-20-26-18-8-4-5-9-19(18)27-20/h4-5,8-9,14-15H,3,6-7,10-13H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyPZXKBAUZCUABBA-UHFFFAOYSA-N
XLogP3.26
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 92612508
2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 112695203
3-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 18145539
N'-[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 110225679
6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrimidin-4-amine
CID 46958545
1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one
CID 110436995
1-piperidin-1-yl-2-(pyridin-2-ylamino)propan-1-one
CID 112551717
2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 102987185
4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 46411465
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide
CID 74246805
N'-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-1-carboximidamide
CID 111033753
ethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate
CID 40512693

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one (CID 46980189) is 2-[[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one is Cc1nc(CCc2nc3ccccc3[nH]2)cc(NC(C)C(=O)N2CCCCC2)n1.
What is the InChIKey of 2-[[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is PZXKBAUZCUABBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-15(22(29)28-12-6-3-7-13-28)23-21-14-17(24-16(2)25-21)10-11-20-26-18-8-4-5-9-19(18)27-20/h4-5,8-9,14-15H,3,6-7,10-13H2,1-2H3,(H,26,27)(H,23,24,25).
What are the key properties of 2-[[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one?
2-[[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 392.51 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 46980189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).