3-[(1-propylbenzimidazol-2-yl)methylamino]piperidin-2-one

C16H22N4O — CID 62093769

IUPAC3-[(1-propylbenzimidazol-2-yl)methylamino]piperidin-2-one
SMILESCCCn1c(CNC2CCCNC2=O)nc2ccccc21
InChIInChI=1S/C16H22N4O/c1-2-10-20-14-8-4-3-6-12(14)19-15(20)11-18-13-7-5-9-17-16(13)21/h3-4,6,8,13,18H,2,5,7,9-11H2,1H3,(H,17,21)
InChIKeyBXSAOESVHAMXRP-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.81
Rot. Bonds5

About 3-[(1-propylbenzimidazol-2-yl)methylamino]piperidin-2-one

3-[(1-propylbenzimidazol-2-yl)methylamino]piperidin-2-one (PubChem CID 62093769) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[(1-propylbenzimidazol-2-yl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[(1-propylbenzimidazol-2-yl)methylamino]piperidin-2-one
PubChem CID62093769
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-[(1-propylbenzimidazol-2-yl)methylamino]piperidin-2-one
SMILESCCCn1c(CNC2CCCNC2=O)nc2ccccc21
InChIInChI=1S/C16H22N4O/c1-2-10-20-14-8-4-3-6-12(14)19-15(20)11-18-13-7-5-9-17-16(13)21/h3-4,6,8,13,18H,2,5,7,9-11H2,1H3,(H,17,21)
InChIKeyBXSAOESVHAMXRP-UHFFFAOYSA-N
XLogP1.81
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(1-propylbenzimidazol-2-yl)methyl]cyclohexane-1,4-diamine
CID 62319804
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
CID 114544004
2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
CID 79352406
2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
CID 62088750
1-cyclopropyl-N-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-amine
CID 119137487
3-[(1-methylindol-3-yl)methylamino]piperidin-2-one
CID 107235592
(1R,2S)-1-[(1-propylbenzimidazol-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 110929241
2-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79750412
2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole
CID 62218069
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2-(2-piperidin-3-ylpropyl)-1-propylbenzimidazole
CID 81050071
N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 103735922

Frequently Asked Questions

What is the IUPAC name of 3-[(1-propylbenzimidazol-2-yl)methylamino]piperidin-2-one?
The IUPAC name of 3-[(1-propylbenzimidazol-2-yl)methylamino]piperidin-2-one (CID 62093769) is 3-[(1-propylbenzimidazol-2-yl)methylamino]piperidin-2-one.
What is the SMILES notation for 3-[(1-propylbenzimidazol-2-yl)methylamino]piperidin-2-one?
The canonical SMILES for 3-[(1-propylbenzimidazol-2-yl)methylamino]piperidin-2-one is CCCn1c(CNC2CCCNC2=O)nc2ccccc21.
What is the InChIKey of 3-[(1-propylbenzimidazol-2-yl)methylamino]piperidin-2-one?
The InChIKey is BXSAOESVHAMXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-10-20-14-8-4-3-6-12(14)19-15(20)11-18-13-7-5-9-17-16(13)21/h3-4,6,8,13,18H,2,5,7,9-11H2,1H3,(H,17,21).
What are the key properties of 3-[(1-propylbenzimidazol-2-yl)methylamino]piperidin-2-one?
3-[(1-propylbenzimidazol-2-yl)methylamino]piperidin-2-one has a molecular weight of 286.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propylbenzimidazol-2-yl)methylamino]piperidin-2-one is sourced from PubChem (CID 62093769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).