(2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride

C14H18Cl2N4O — CID 119273847

IUPAC(2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NC(c1ccc(Cl)cc1)c1nccn1C.Cl
InChIInChI=1S/C14H17ClN4O.ClH/c1-9(16)14(20)18-12(13-17-7-8-19(13)2)10-3-5-11(15)6-4-10;/h3-9,12H,16H2,1-2H3,(H,18,20);1H/t9-,12?;/m1./s1
InChIKeyCRWOGSLSAOULRM-SWHRJYHISA-N
MW329.23 g/mol
LogP2.05
Rot. Bonds4

About (2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride

(2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride (PubChem CID 119273847) has the molecular formula C14H18Cl2N4O and a molecular weight of 329.23 g/mol. Its IUPAC name is (2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride
PubChem CID119273847
Molecular FormulaC14H18Cl2N4O
Molecular Weight329.23 g/mol
Exact Mass328.09
IUPAC Name(2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NC(c1ccc(Cl)cc1)c1nccn1C.Cl
InChIInChI=1S/C14H17ClN4O.ClH/c1-9(16)14(20)18-12(13-17-7-8-19(13)2)10-3-5-11(15)6-4-10;/h3-9,12H,16H2,1-2H3,(H,18,20);1H/t9-,12?;/m1./s1
InChIKeyCRWOGSLSAOULRM-SWHRJYHISA-N
XLogP2.05
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51559087
2-(4-chlorophenyl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 9247935
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methylbut-2-enamide
CID 43048455
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 25406313
5-chloro-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 25344825
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea
CID 42954342
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25405660
1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-fluorophenyl)urea
CID 41430470
1-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95129972
(2R)-2-(2,4-dichlorophenoxy)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 25358227
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-cyclohexylurea
CID 110429557
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea
CID 24612413

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride (CID 119273847) is (2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride is C[C@@H](N)C(=O)NC(c1ccc(Cl)cc1)c1nccn1C.Cl.
What is the InChIKey of (2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride?
The InChIKey is CRWOGSLSAOULRM-SWHRJYHISA-N. The full InChI is InChI=1S/C14H17ClN4O.ClH/c1-9(16)14(20)18-12(13-17-7-8-19(13)2)10-3-5-11(15)6-4-10;/h3-9,12H,16H2,1-2H3,(H,18,20);1H/t9-,12?;/m1./s1.
What are the key properties of (2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride?
(2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride has a molecular weight of 329.23 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119273847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).