2-[2-(methylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone

C15H20N4O — CID 82359384

IUPAC2-[2-(methylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
SMILESCNc1nc2ccccc2n1CC(=O)N1CCCCC1
InChIInChI=1S/C15H20N4O/c1-16-15-17-12-7-3-4-8-13(12)19(15)11-14(20)18-9-5-2-6-10-18/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,16,17)
InChIKeySDBVCNBTHHDGJE-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.09
Rot. Bonds3

About 2-[2-(methylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone

2-[2-(methylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 82359384) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-(methylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(methylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
PubChem CID82359384
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[2-(methylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
SMILESCNc1nc2ccccc2n1CC(=O)N1CCCCC1
InChIInChI=1S/C15H20N4O/c1-16-15-17-12-7-3-4-8-13(12)19(15)11-14(20)18-9-5-2-6-10-18/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,16,17)
InChIKeySDBVCNBTHHDGJE-UHFFFAOYSA-N
XLogP2.09
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 51142185
N-[[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]acetamide
CID 17006020
ethyl 2-[2-(methylamino)benzimidazol-1-yl]acetate
CID 10376688
2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 16995636
1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone
CID 16996658
2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
CID 16996660
2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 3224716
N-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine
CID 82359477
1-pyrrolidin-1-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 1477753
methyl 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanylacetate
CID 4085274
2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 17001389
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967444

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-(methylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone (CID 82359384) is 2-[2-(methylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-(methylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-(methylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone is CNc1nc2ccccc2n1CC(=O)N1CCCCC1.
What is the InChIKey of 2-[2-(methylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is SDBVCNBTHHDGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-16-15-17-12-7-3-4-8-13(12)19(15)11-14(20)18-9-5-2-6-10-18/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,16,17).
What are the key properties of 2-[2-(methylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone?
2-[2-(methylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 272.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 82359384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).