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

C20H26N4O — CID 11439171

IUPAC1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cycloheptane-1-carbonitrile
SMILESN#CC1(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CCCCCC1
InChIInChI=1S/C20H26N4O/c21-15-20(11-5-1-2-6-12-20)23-13-9-16(10-14-23)24-18-8-4-3-7-17(18)22-19(24)25/h3-4,7-8,16H,1-2,5-6,9-14H2,(H,22,25)
InChIKeyUPYWKNVDEIIULU-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.58
Rot. Bonds2

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

1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cycloheptane-1-carbonitrile (PubChem CID 11439171) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cycloheptane-1-carbonitrile
PubChem CID11439171
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cycloheptane-1-carbonitrile
SMILESN#CC1(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CCCCCC1
InChIInChI=1S/C20H26N4O/c21-15-20(11-5-1-2-6-12-20)23-13-9-16(10-14-23)24-18-8-4-3-7-17(18)22-19(24)25/h3-4,7-8,16H,1-2,5-6,9-14H2,(H,22,25)
InChIKeyUPYWKNVDEIIULU-UHFFFAOYSA-N
XLogP3.58
TPSA64.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.58
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]methyl]cyclopropane-1-carbonitrile
CID 172967768
4-[4-(6-bromo-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]oxane-4-carbonitrile
CID 143429972
3-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 119274805
N-[(1-cyanocyclobutyl)methyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 128839293
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968040
3-[4-[2-oxo-6-(trifluoromethoxy)-3H-benzimidazol-1-yl]piperidin-1-yl]oxane-3-carbonitrile
CID 91226179
3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 139765668
3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
CID 70115038
3-(4-aminocyclohexyl)-1H-benzimidazol-2-one
CID 23092402
4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde
CID 21471554
4-[4-(5-methyl-2-oxo-6-sulfanyl-3H-benzimidazol-1-yl)piperidin-1-yl]oxane-4-carbonitrile
CID 143430029

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cycloheptane-1-carbonitrile?
The IUPAC name of 1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cycloheptane-1-carbonitrile (CID 11439171) is 1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cycloheptane-1-carbonitrile.
What is the SMILES notation for 1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cycloheptane-1-carbonitrile?
The canonical SMILES for 1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cycloheptane-1-carbonitrile is N#CC1(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CCCCCC1.
What is the InChIKey of 1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cycloheptane-1-carbonitrile?
The InChIKey is UPYWKNVDEIIULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c21-15-20(11-5-1-2-6-12-20)23-13-9-16(10-14-23)24-18-8-4-3-7-17(18)22-19(24)25/h3-4,7-8,16H,1-2,5-6,9-14H2,(H,22,25).
What are the key properties of 1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cycloheptane-1-carbonitrile?
1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cycloheptane-1-carbonitrile has a molecular weight of 338.45 g/mol, XLogP of 3.58, 2 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]cycloheptane-1-carbonitrile is sourced from PubChem (CID 11439171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).