N-[2-(4-aminophenyl)ethyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride

C19H24Cl2N4O — CID 119548614

IUPACN-[2-(4-aminophenyl)ethyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride
SMILESCc1cccc2[nH]c(CCC(=O)NCCc3ccc(N)cc3)nc12.Cl.Cl
InChIInChI=1S/C19H22N4O.2ClH/c1-13-3-2-4-16-19(13)23-17(22-16)9-10-18(24)21-12-11-14-5-7-15(20)8-6-14;;/h2-8H,9-12,20H2,1H3,(H,21,24)(H,22,23);2*1H
InChIKeyPRRTXCYSYXZEJD-UHFFFAOYSA-N
MW395.33 g/mol
LogP3.59
Rot. Bonds6

About N-[2-(4-aminophenyl)ethyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride

N-[2-(4-aminophenyl)ethyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride (PubChem CID 119548614) has the molecular formula C19H24Cl2N4O and a molecular weight of 395.33 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride
PubChem CID119548614
Molecular FormulaC19H24Cl2N4O
Molecular Weight395.33 g/mol
Exact Mass394.13
IUPAC NameN-[2-(4-aminophenyl)ethyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride
SMILESCc1cccc2[nH]c(CCC(=O)NCCc3ccc(N)cc3)nc12.Cl.Cl
InChIInChI=1S/C19H22N4O.2ClH/c1-13-3-2-4-16-19(13)23-17(22-16)9-10-18(24)21-12-11-14-5-7-15(20)8-6-14;;/h2-8H,9-12,20H2,1H3,(H,21,24)(H,22,23);2*1H
InChIKeyPRRTXCYSYXZEJD-UHFFFAOYSA-N
XLogP3.59
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 119497235
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 119607252
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
2-(4-hydroxypiperidin-1-yl)-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 118796145
N-(2-amino-1-cyclohexylethyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride
CID 119590593
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
CID 91766278
N-[2-(4-aminophenyl)ethyl]decanamide
CID 22980985
N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine
CID 26722492
N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide;hydrochloride
CID 119549003
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 96529378
N-[2-(4-aminophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119549376
N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide
CID 119549004

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride (CID 119548614) is N-[2-(4-aminophenyl)ethyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride is Cc1cccc2[nH]c(CCC(=O)NCCc3ccc(N)cc3)nc12.Cl.Cl.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride?
The InChIKey is PRRTXCYSYXZEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O.2ClH/c1-13-3-2-4-16-19(13)23-17(22-16)9-10-18(24)21-12-11-14-5-7-15(20)8-6-14;;/h2-8H,9-12,20H2,1H3,(H,21,24)(H,22,23);2*1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride?
N-[2-(4-aminophenyl)ethyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride has a molecular weight of 395.33 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119548614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).