1-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclopropane-1-carbonitrile

C17H20N4O — CID 172967768

IUPAC1-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1
InChIInChI=1S/C17H20N4O/c18-11-17(7-8-17)12-20-9-5-13(6-10-20)21-15-4-2-1-3-14(15)19-16(21)22/h1-4,13H,5-10,12H2,(H,19,22)
InChIKeyAQEIMFXBFJZMJG-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.27
Rot. Bonds3

About 1-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclopropane-1-carbonitrile

1-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclopropane-1-carbonitrile (PubChem CID 172967768) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclopropane-1-carbonitrile
PubChem CID172967768
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1
InChIInChI=1S/C17H20N4O/c18-11-17(7-8-17)12-20-9-5-13(6-10-20)21-15-4-2-1-3-14(15)19-16(21)22/h1-4,13H,5-10,12H2,(H,19,22)
InChIKeyAQEIMFXBFJZMJG-UHFFFAOYSA-N
XLogP2.27
TPSA64.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cycloheptane-1-carbonitrile
CID 11439171
N-[(1-cyanocyclobutyl)methyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 128839293
3-[1-[(2-methylcyclopropyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968394
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755
3-[1-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 131962405
3-[1-[[(1S,2S,4S)-2-fluoro-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968241
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968436
3-[1-[[3-(aminomethyl)cyclohexyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968406
3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968600
3-[1-[2-(oxolan-3-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968472

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclopropane-1-carbonitrile (CID 172967768) is 1-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclopropane-1-carbonitrile is N#CC1(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1.
What is the InChIKey of 1-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclopropane-1-carbonitrile?
The InChIKey is AQEIMFXBFJZMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c18-11-17(7-8-17)12-20-9-5-13(6-10-20)21-15-4-2-1-3-14(15)19-16(21)22/h1-4,13H,5-10,12H2,(H,19,22).
What are the key properties of 1-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclopropane-1-carbonitrile?
1-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclopropane-1-carbonitrile has a molecular weight of 296.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 172967768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).