N-cyclopropyl-N-ethyl-2-[(3S)-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]acetamide

C18H28N4O — CID 129490127

IUPACN-cyclopropyl-N-ethyl-2-[(3S)-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]acetamide
SMILESCCN(C(=O)CN1CC[C@H](n2cnc3c2CCCC3)C1)C1CC1
InChIInChI=1S/C18H28N4O/c1-2-21(14-7-8-14)18(23)12-20-10-9-15(11-20)22-13-19-16-5-3-4-6-17(16)22/h13-15H,2-12H2,1H3/t15-/m0/s1
InChIKeyQZYZYHSJEPHVCJ-HNNXBMFYSA-N
MW316.45 g/mol
LogP2.02
Rot. Bonds5

About N-cyclopropyl-N-ethyl-2-[(3S)-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]acetamide

N-cyclopropyl-N-ethyl-2-[(3S)-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]acetamide (PubChem CID 129490127) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-[(3S)-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-[(3S)-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]acetamide
PubChem CID129490127
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-cyclopropyl-N-ethyl-2-[(3S)-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]acetamide
SMILESCCN(C(=O)CN1CC[C@H](n2cnc3c2CCCC3)C1)C1CC1
InChIInChI=1S/C18H28N4O/c1-2-21(14-7-8-14)18(23)12-20-10-9-15(11-20)22-13-19-16-5-3-4-6-17(16)22/h13-15H,2-12H2,1H3/t15-/m0/s1
InChIKeyQZYZYHSJEPHVCJ-HNNXBMFYSA-N
XLogP2.02
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-[(3S)-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-[(3S)-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]acetamide (CID 129490127) is N-cyclopropyl-N-ethyl-2-[(3S)-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-[(3S)-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-[(3S)-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]acetamide is CCN(C(=O)CN1CC[C@H](n2cnc3c2CCCC3)C1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-[(3S)-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is QZYZYHSJEPHVCJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-2-21(14-7-8-14)18(23)12-20-10-9-15(11-20)22-13-19-16-5-3-4-6-17(16)22/h13-15H,2-12H2,1H3/t15-/m0/s1.
What are the key properties of N-cyclopropyl-N-ethyl-2-[(3S)-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]acetamide?
N-cyclopropyl-N-ethyl-2-[(3S)-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 316.45 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-[(3S)-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 129490127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).