N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride

C17H24Cl2N4O — CID 119897640

IUPACN-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCc1nccn1-c1ccc(C(C)NC(=O)C2CCCN2)cc1.Cl.Cl
InChIInChI=1S/C17H22N4O.2ClH/c1-12(20-17(22)16-4-3-9-19-16)14-5-7-15(8-6-14)21-11-10-18-13(21)2;;/h5-8,10-12,16,19H,3-4,9H2,1-2H3,(H,20,22);2*1H
InChIKeyWPBRHIPDSAMSQI-UHFFFAOYSA-N
MW371.31 g/mol
LogP2.95
Rot. Bonds4

About N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride

N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119897640) has the molecular formula C17H24Cl2N4O and a molecular weight of 371.31 g/mol. Its IUPAC name is N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119897640
Molecular FormulaC17H24Cl2N4O
Molecular Weight371.31 g/mol
Exact Mass370.13
IUPAC NameN-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCc1nccn1-c1ccc(C(C)NC(=O)C2CCCN2)cc1.Cl.Cl
InChIInChI=1S/C17H22N4O.2ClH/c1-12(20-17(22)16-4-3-9-19-16)14-5-7-15(8-6-14)21-11-10-18-13(21)2;;/h5-8,10-12,16,19H,3-4,9H2,1-2H3,(H,20,22);2*1H
InChIKeyWPBRHIPDSAMSQI-UHFFFAOYSA-N
XLogP2.95
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81356074
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81355839
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 81355602
(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103795927
(2R)-N-[(1R)-1-[4-(difluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 175925248
(2R)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119894609
N-[(1R)-1-pyridin-4-ylethyl]piperidine-2-carboxamide
CID 81410506
(2S)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119274665
1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea
CID 71922227
1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea
CID 97048929
3-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]azetidine-1-carboxamide
CID 119034753

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 119897640) is N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride is Cc1nccn1-c1ccc(C(C)NC(=O)C2CCCN2)cc1.Cl.Cl.
What is the InChIKey of N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is WPBRHIPDSAMSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.2ClH/c1-12(20-17(22)16-4-3-9-19-16)14-5-7-15(8-6-14)21-11-10-18-13(21)2;;/h5-8,10-12,16,19H,3-4,9H2,1-2H3,(H,20,22);2*1H.
What are the key properties of N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 371.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119897640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).