N-(1-cyanocyclohexyl)-N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide

C22H33N5O — CID 154736844

IUPACN-(1-cyanocyclohexyl)-N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCN(C(=O)CN1CCCC1c1nc2c(n1C)CCCC2)C1(C#N)CCCCC1
InChIInChI=1S/C22H33N5O/c1-25-18-10-5-4-9-17(18)24-21(25)19-11-8-14-27(19)15-20(28)26(2)22(16-23)12-6-3-7-13-22/h19H,3-15H2,1-2H3
InChIKeyAEFWDGRZCQFKTM-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.12
Rot. Bonds4

About N-(1-cyanocyclohexyl)-N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide

N-(1-cyanocyclohexyl)-N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide (PubChem CID 154736844) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide
PubChem CID154736844
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC NameN-(1-cyanocyclohexyl)-N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCN(C(=O)CN1CCCC1c1nc2c(n1C)CCCC2)C1(C#N)CCCCC1
InChIInChI=1S/C22H33N5O/c1-25-18-10-5-4-9-17(18)24-21(25)19-11-8-14-27(19)15-20(28)26(2)22(16-23)12-6-3-7-13-22/h19H,3-15H2,1-2H3
InChIKeyAEFWDGRZCQFKTM-UHFFFAOYSA-N
XLogP3.12
TPSA65.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide (CID 154736844) is N-(1-cyanocyclohexyl)-N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide is CN(C(=O)CN1CCCC1c1nc2c(n1C)CCCC2)C1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is AEFWDGRZCQFKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-25-18-10-5-4-9-17(18)24-21(25)19-11-8-14-27(19)15-20(28)26(2)22(16-23)12-6-3-7-13-22/h19H,3-15H2,1-2H3.
What are the key properties of N-(1-cyanocyclohexyl)-N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
N-(1-cyanocyclohexyl)-N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 383.54 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 154736844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).