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

C18H28N4O — CID 129351389

IUPACN-cyclopropyl-N-methyl-2-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCN(C(=O)CN1CCC[C@H]1c1nc2c(n1C)CCCC2)C1CC1
InChIInChI=1S/C18H28N4O/c1-20(13-9-10-13)17(23)12-22-11-5-8-16(22)18-19-14-6-3-4-7-15(14)21(18)2/h13,16H,3-12H2,1-2H3/t16-/m0/s1
InChIKeySLKBVRGHARJGRG-INIZCTEOSA-N
MW316.45 g/mol
LogP2.06
Rot. Bonds4

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

N-cyclopropyl-N-methyl-2-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide (PubChem CID 129351389) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-2-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-2-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide
PubChem CID129351389
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-cyclopropyl-N-methyl-2-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCN(C(=O)CN1CCC[C@H]1c1nc2c(n1C)CCCC2)C1CC1
InChIInChI=1S/C18H28N4O/c1-20(13-9-10-13)17(23)12-22-11-5-8-16(22)18-19-14-6-3-4-7-15(14)21(18)2/h13,16H,3-12H2,1-2H3/t16-/m0/s1
InChIKeySLKBVRGHARJGRG-INIZCTEOSA-N
XLogP2.06
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-2-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-methyl-2-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide (CID 129351389) is N-cyclopropyl-N-methyl-2-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-2-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-methyl-2-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide is CN(C(=O)CN1CCC[C@H]1c1nc2c(n1C)CCCC2)C1CC1.
What is the InChIKey of N-cyclopropyl-N-methyl-2-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is SLKBVRGHARJGRG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N4O/c1-20(13-9-10-13)17(23)12-22-11-5-8-16(22)18-19-14-6-3-4-7-15(14)21(18)2/h13,16H,3-12H2,1-2H3/t16-/m0/s1.
What are the key properties of N-cyclopropyl-N-methyl-2-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
N-cyclopropyl-N-methyl-2-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 316.45 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-2-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 129351389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).