N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

C19H24Cl2N4O — CID 119840627

IUPACN-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NC(c1ccccc1)c1ccc2nc[nH]c2c1.Cl.Cl
InChIInChI=1S/C19H22N4O.2ClH/c1-13(11-20-2)19(24)23-18(14-6-4-3-5-7-14)15-8-9-16-17(10-15)22-12-21-16;;/h3-10,12-13,18,20H,11H2,1-2H3,(H,21,22)(H,23,24);2*1H
InChIKeyQATRMZBUQTZXBA-UHFFFAOYSA-N
MW395.33 g/mol
LogP3.47
Rot. Bonds6

About N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (PubChem CID 119840627) has the molecular formula C19H24Cl2N4O and a molecular weight of 395.33 g/mol. Its IUPAC name is N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
PubChem CID119840627
Molecular FormulaC19H24Cl2N4O
Molecular Weight395.33 g/mol
Exact Mass394.13
IUPAC NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NC(c1ccccc1)c1ccc2nc[nH]c2c1.Cl.Cl
InChIInChI=1S/C19H22N4O.2ClH/c1-13(11-20-2)19(24)23-18(14-6-4-3-5-7-14)15-8-9-16-17(10-15)22-12-21-16;;/h3-10,12-13,18,20H,11H2,1-2H3,(H,21,22)(H,23,24);2*1H
InChIKeyQATRMZBUQTZXBA-UHFFFAOYSA-N
XLogP3.47
TPSA69.81 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 ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dichlorophenyl)-phenylmethyl]-2-methyl-3-(methylamino)propanamide
CID 119740356
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 24621619
N-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide
CID 47018726
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 86916761
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-phenylbutanamide
CID 78876519
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 42883479
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide
CID 78836794
N-[(S)-3H-benzimidazol-5-yl(phenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 25474476
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(carbamoylamino)benzamide
CID 78839231
N-[3H-benzimidazol-5-yl(phenyl)methyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 24627824
2-methyl-3-(methylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]propanamide;hydrochloride
CID 119796978
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-chlorophenyl)-4-oxobutanamide
CID 78839236

Frequently Asked Questions

What is the IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (CID 119840627) is N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The canonical SMILES for N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is CNCC(C)C(=O)NC(c1ccccc1)c1ccc2nc[nH]c2c1.Cl.Cl.
What is the InChIKey of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The InChIKey is QATRMZBUQTZXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O.2ClH/c1-13(11-20-2)19(24)23-18(14-6-4-3-5-7-14)15-8-9-16-17(10-15)22-12-21-16;;/h3-10,12-13,18,20H,11H2,1-2H3,(H,21,22)(H,23,24);2*1H.
What are the key properties of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride has a molecular weight of 395.33 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is sourced from PubChem (CID 119840627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).