N,N-bis(2-cyanoethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide

C19H26N6O — CID 128983479

IUPACN,N-bis(2-cyanoethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
SMILESN#CCCN(CCC#N)C(=O)CN1CCCC1c1nc2c([nH]1)CCCC2
InChIInChI=1S/C19H26N6O/c20-9-4-12-24(13-5-10-21)18(26)14-25-11-3-8-17(25)19-22-15-6-1-2-7-16(15)23-19/h17H,1-8,11-14H2,(H,22,23)
InChIKeyLHXRPPBIYVDROR-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.08
Rot. Bonds7

About N,N-bis(2-cyanoethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide

N,N-bis(2-cyanoethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide (PubChem CID 128983479) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
PubChem CID128983479
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN,N-bis(2-cyanoethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
SMILESN#CCCN(CCC#N)C(=O)CN1CCCC1c1nc2c([nH]1)CCCC2
InChIInChI=1S/C19H26N6O/c20-9-4-12-24(13-5-10-21)18(26)14-25-11-3-8-17(25)19-22-15-6-1-2-7-16(15)23-19/h17H,1-8,11-14H2,(H,22,23)
InChIKeyLHXRPPBIYVDROR-UHFFFAOYSA-N
XLogP2.08
TPSA99.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide (CID 128983479) is N,N-bis(2-cyanoethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide is N#CCCN(CCC#N)C(=O)CN1CCCC1c1nc2c([nH]1)CCCC2.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is LHXRPPBIYVDROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c20-9-4-12-24(13-5-10-21)18(26)14-25-11-3-8-17(25)19-22-15-6-1-2-7-16(15)23-19/h17H,1-8,11-14H2,(H,22,23).
What are the key properties of N,N-bis(2-cyanoethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
N,N-bis(2-cyanoethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 354.46 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 128983479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).