2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-N-methyl-1H-benzimidazole-4-carboxamide

C19H20Cl2N4O — CID 170578668

IUPAC2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-N-methyl-1H-benzimidazole-4-carboxamide
SMILESCNC(=O)c1cccc2[nH]c(NCC(C)(C)c3ccc(Cl)c(Cl)c3)nc12
InChIInChI=1S/C19H20Cl2N4O/c1-19(2,11-7-8-13(20)14(21)9-11)10-23-18-24-15-6-4-5-12(16(15)25-18)17(26)22-3/h4-9H,10H2,1-3H3,(H,22,26)(H2,23,24,25)
InChIKeyKEUHAGMOISRBHD-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.62
Rot. Bonds5

About 2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-N-methyl-1H-benzimidazole-4-carboxamide

2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-N-methyl-1H-benzimidazole-4-carboxamide (PubChem CID 170578668) has the molecular formula C19H20Cl2N4O and a molecular weight of 391.30 g/mol. Its IUPAC name is 2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-N-methyl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-N-methyl-1H-benzimidazole-4-carboxamide
PubChem CID170578668
Molecular FormulaC19H20Cl2N4O
Molecular Weight391.30 g/mol
Exact Mass390.10
IUPAC Name2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-N-methyl-1H-benzimidazole-4-carboxamide
SMILESCNC(=O)c1cccc2[nH]c(NCC(C)(C)c3ccc(Cl)c(Cl)c3)nc12
InChIInChI=1S/C19H20Cl2N4O/c1-19(2,11-7-8-13(20)14(21)9-11)10-23-18-24-15-6-4-5-12(16(15)25-18)17(26)22-3/h4-9H,10H2,1-3H3,(H,22,26)(H2,23,24,25)
InChIKeyKEUHAGMOISRBHD-UHFFFAOYSA-N
XLogP4.62
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-4-methoxy-1H-benzimidazol-2-amine
CID 170579838
2-amino-N-methyl-1H-benzimidazole-4-carboxamide
CID 166892984
2-[[2-(4-cyanophenyl)-2-methylpropyl]amino]-1H-benzimidazole-4-carbonitrile
CID 170579962
5-tert-butyl-2-chloro-N-methylbenzamide
CID 59485577
2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]ethanol
CID 115216577
N-methylphenazine-1-carboxamide
CID 4257706
methyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate
CID 115357533
3-amino-N-(4-chloro-1H-benzimidazol-2-yl)-2-methylbutanamide
CID 120501807
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 60607380
N-(3-chloro-2-methylphenyl)-2-[(2-methoxy-2-methylpropyl)amino]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride
CID 90229528
3-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine
CID 79830214
N-[4-[(4-chlorophenyl)methylcarbamoyl]-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide
CID 58026661

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-N-methyl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-N-methyl-1H-benzimidazole-4-carboxamide (CID 170578668) is 2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-N-methyl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-N-methyl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-N-methyl-1H-benzimidazole-4-carboxamide is CNC(=O)c1cccc2[nH]c(NCC(C)(C)c3ccc(Cl)c(Cl)c3)nc12.
What is the InChIKey of 2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-N-methyl-1H-benzimidazole-4-carboxamide?
The InChIKey is KEUHAGMOISRBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O/c1-19(2,11-7-8-13(20)14(21)9-11)10-23-18-24-15-6-4-5-12(16(15)25-18)17(26)22-3/h4-9H,10H2,1-3H3,(H,22,26)(H2,23,24,25).
What are the key properties of 2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-N-methyl-1H-benzimidazole-4-carboxamide?
2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-N-methyl-1H-benzimidazole-4-carboxamide has a molecular weight of 391.30 g/mol, XLogP of 4.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-N-methyl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 170578668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).