4-amino-5-chloro-2-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide;dihydrochloride

C19H23Cl3N4O2 — CID 119889954

IUPAC4-amino-5-chloro-2-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide;dihydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCCCc1nc2ccccc2n1C.Cl.Cl
InChIInChI=1S/C19H21ClN4O2.2ClH/c1-24-16-7-4-3-6-15(16)23-18(24)8-5-9-22-19(25)12-10-13(20)14(21)11-17(12)26-2;;/h3-4,6-7,10-11H,5,8-9,21H2,1-2H3,(H,22,25);2*1H
InChIKeyRQCDPJNWVYRWFT-UHFFFAOYSA-N
MW445.78 g/mol
LogP4.02
Rot. Bonds6

About 4-amino-5-chloro-2-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide;dihydrochloride

4-amino-5-chloro-2-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide;dihydrochloride (PubChem CID 119889954) has the molecular formula C19H23Cl3N4O2 and a molecular weight of 445.78 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide;dihydrochloride
PubChem CID119889954
Molecular FormulaC19H23Cl3N4O2
Molecular Weight445.78 g/mol
Exact Mass444.09
IUPAC Name4-amino-5-chloro-2-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide;dihydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCCCc1nc2ccccc2n1C.Cl.Cl
InChIInChI=1S/C19H21ClN4O2.2ClH/c1-24-16-7-4-3-6-15(16)23-18(24)8-5-9-22-19(25)12-10-13(20)14(21)11-17(12)26-2;;/h3-4,6-7,10-11H,5,8-9,21H2,1-2H3,(H,22,25);2*1H
InChIKeyRQCDPJNWVYRWFT-UHFFFAOYSA-N
XLogP4.02
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.78
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16982503
3-amino-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide
CID 91769490
2-chloro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982749
4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 122080226
4-amino-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
CID 4784712
4-amino-5-chloro-2-methoxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 119731680
4-amino-5-chloro-N-[3-(ethylsulfonylamino)propyl]-2-methoxybenzamide;hydrochloride
CID 119763146
3-methoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 56790573
4-amino-5-chloro-2-methoxy-N-[3-(3-methoxyphenoxy)propyl]benzamide;hydrochloride
CID 119797688
2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide
CID 4753688
4-amino-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methoxybenzamide
CID 119681221
5,6-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide
CID 71827682

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide;dihydrochloride?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide;dihydrochloride (CID 119889954) is 4-amino-5-chloro-2-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide;dihydrochloride.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide;dihydrochloride?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide;dihydrochloride is COc1cc(N)c(Cl)cc1C(=O)NCCCc1nc2ccccc2n1C.Cl.Cl.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide;dihydrochloride?
The InChIKey is RQCDPJNWVYRWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2.2ClH/c1-24-16-7-4-3-6-15(16)23-18(24)8-5-9-22-19(25)12-10-13(20)14(21)11-17(12)26-2;;/h3-4,6-7,10-11H,5,8-9,21H2,1-2H3,(H,22,25);2*1H.
What are the key properties of 4-amino-5-chloro-2-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide;dihydrochloride?
4-amino-5-chloro-2-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide;dihydrochloride has a molecular weight of 445.78 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide;dihydrochloride is sourced from PubChem (CID 119889954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).