(2S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride

C15H22Cl2N4O — CID 119890016

IUPAC(2S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCC(NC(=O)[C@@H]1CCCN1)c1nc2ccccc2n1C.Cl.Cl
InChIInChI=1S/C15H20N4O.2ClH/c1-10(17-15(20)12-7-5-9-16-12)14-18-11-6-3-4-8-13(11)19(14)2;;/h3-4,6,8,10,12,16H,5,7,9H2,1-2H3,(H,17,20);2*1H/t10?,12-;;/m0../s1
InChIKeyAJULJPIBPLEDEV-NJDKGTEJSA-N
MW345.27 g/mol
LogP2.35
Rot. Bonds3

About (2S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride

(2S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119890016) has the molecular formula C15H22Cl2N4O and a molecular weight of 345.27 g/mol. Its IUPAC name is (2S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119890016
Molecular FormulaC15H22Cl2N4O
Molecular Weight345.27 g/mol
Exact Mass344.12
IUPAC Name(2S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCC(NC(=O)[C@@H]1CCCN1)c1nc2ccccc2n1C.Cl.Cl
InChIInChI=1S/C15H20N4O.2ClH/c1-10(17-15(20)12-7-5-9-16-12)14-18-11-6-3-4-8-13(11)19(14)2;;/h3-4,6,8,10,12,16H,5,7,9H2,1-2H3,(H,17,20);2*1H/t10?,12-;;/m0../s1
InChIKeyAJULJPIBPLEDEV-NJDKGTEJSA-N
XLogP2.35
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 119889969
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119836858
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119866267
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119888858
(2S)-N-[1-(1-benzofuran-2-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119272386
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 119866268
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
(2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794027
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide
CID 43706300

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 119890016) is (2S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride is CC(NC(=O)[C@@H]1CCCN1)c1nc2ccccc2n1C.Cl.Cl.
What is the InChIKey of (2S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is AJULJPIBPLEDEV-NJDKGTEJSA-N. The full InChI is InChI=1S/C15H20N4O.2ClH/c1-10(17-15(20)12-7-5-9-16-12)14-18-11-6-3-4-8-13(11)19(14)2;;/h3-4,6,8,10,12,16H,5,7,9H2,1-2H3,(H,17,20);2*1H/t10?,12-;;/m0../s1.
What are the key properties of (2S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
(2S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 345.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119890016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).