5-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride

C19H24Cl2N4O — CID 120643289

IUPAC5-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)NC(c1nc2ccccc2[nH]1)C(C)C.Cl.Cl
InChIInChI=1S/C19H22N4O.2ClH/c1-11(2)17(18-21-15-6-4-5-7-16(15)22-18)23-19(24)14-10-13(20)9-8-12(14)3;;/h4-11,17H,20H2,1-3H3,(H,21,22)(H,23,24);2*1H
InChIKeyYHCLWDCUYKRXKJ-UHFFFAOYSA-N
MW395.33 g/mol
LogP4.42
Rot. Bonds4

About 5-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride

5-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride (PubChem CID 120643289) has the molecular formula C19H24Cl2N4O and a molecular weight of 395.33 g/mol. Its IUPAC name is 5-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride.

Molecular Properties

Compound Name5-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride
PubChem CID120643289
Molecular FormulaC19H24Cl2N4O
Molecular Weight395.33 g/mol
Exact Mass394.13
IUPAC Name5-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)NC(c1nc2ccccc2[nH]1)C(C)C.Cl.Cl
InChIInChI=1S/C19H22N4O.2ClH/c1-11(2)17(18-21-15-6-4-5-7-16(15)22-18)23-19(24)14-10-13(20)9-8-12(14)3;;/h4-11,17H,20H2,1-3H3,(H,21,22)(H,23,24);2*1H
InChIKeyYHCLWDCUYKRXKJ-UHFFFAOYSA-N
XLogP4.42
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide
CID 4779807
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-bromobenzamide
CID 8927969
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976349
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 4876620
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 3701693
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-methyl-1-benzofuran-2-carboxamide
CID 60550032
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-chloro-2-methoxybenzamide
CID 95248304
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 18116353
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,4-dichloro-5-fluorobenzamide
CID 134059923
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride
CID 119854046
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
2-chloro-N-[(1S)-1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropyl]benzamide
CID 1476306

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride?
The IUPAC name of 5-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride (CID 120643289) is 5-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride.
What is the SMILES notation for 5-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride?
The canonical SMILES for 5-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride is Cc1ccc(N)cc1C(=O)NC(c1nc2ccccc2[nH]1)C(C)C.Cl.Cl.
What is the InChIKey of 5-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride?
The InChIKey is YHCLWDCUYKRXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O.2ClH/c1-11(2)17(18-21-15-6-4-5-7-16(15)22-18)23-19(24)14-10-13(20)9-8-12(14)3;;/h4-11,17H,20H2,1-3H3,(H,21,22)(H,23,24);2*1H.
What are the key properties of 5-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride?
5-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride has a molecular weight of 395.33 g/mol, XLogP of 4.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride is sourced from PubChem (CID 120643289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).