N-(2-amino-1-cyclohexylethyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride

C19H30Cl2N4O — CID 119590593

IUPACN-(2-amino-1-cyclohexylethyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride
SMILESCc1cccc2[nH]c(CCC(=O)NC(CN)C3CCCCC3)nc12.Cl.Cl
InChIInChI=1S/C19H28N4O.2ClH/c1-13-6-5-9-15-19(13)23-17(21-15)10-11-18(24)22-16(12-20)14-7-3-2-4-8-14;;/h5-6,9,14,16H,2-4,7-8,10-12,20H2,1H3,(H,21,23)(H,22,24);2*1H
InChIKeyZQCUWWMOVFUEBC-UHFFFAOYSA-N
MW401.38 g/mol
LogP3.67
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride

N-(2-amino-1-cyclohexylethyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride (PubChem CID 119590593) has the molecular formula C19H30Cl2N4O and a molecular weight of 401.38 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride
PubChem CID119590593
Molecular FormulaC19H30Cl2N4O
Molecular Weight401.38 g/mol
Exact Mass400.18
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride
SMILESCc1cccc2[nH]c(CCC(=O)NC(CN)C3CCCCC3)nc12.Cl.Cl
InChIInChI=1S/C19H28N4O.2ClH/c1-13-6-5-9-15-19(13)23-17(21-15)10-11-18(24)22-16(12-20)14-7-3-2-4-8-14;;/h5-6,9,14,16H,2-4,7-8,10-12,20H2,1H3,(H,21,23)(H,22,24);2*1H
InChIKeyZQCUWWMOVFUEBC-UHFFFAOYSA-N
XLogP3.67
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 119589025
N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride
CID 119260925
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(4-methyl-1H-benzimidazol-2-yl)propan-1-one
CID 119632771
2-cyclopentyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 77086079
N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(4-methyl-1H-benzimidazol-2-yl)propan-1-one
CID 119485259
N-[2-(4-aminophenyl)ethyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride
CID 119548614
N-(2-amino-1-cyclohexylethyl)pentanamide;hydrochloride
CID 119589343
1-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356105
N-(2-amino-1-cyclohexylethyl)-2-methyl-2-(2-methylphenyl)propanamide
CID 119590911
N-(2-amino-1-cyclohexylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119591484
N-(2-amino-1-cyclohexylethyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119591056

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride (CID 119590593) is N-(2-amino-1-cyclohexylethyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride is Cc1cccc2[nH]c(CCC(=O)NC(CN)C3CCCCC3)nc12.Cl.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride?
The InChIKey is ZQCUWWMOVFUEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O.2ClH/c1-13-6-5-9-15-19(13)23-17(21-15)10-11-18(24)22-16(12-20)14-7-3-2-4-8-14;;/h5-6,9,14,16H,2-4,7-8,10-12,20H2,1H3,(H,21,23)(H,22,24);2*1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride?
N-(2-amino-1-cyclohexylethyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride has a molecular weight of 401.38 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119590593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).