N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-4-methoxy-1H-benzimidazol-2-amine

C18H19Cl2N3O — CID 170579838

IUPACN-[2-(3,4-dichlorophenyl)-2-methylpropyl]-4-methoxy-1H-benzimidazol-2-amine
SMILESCOc1cccc2[nH]c(NCC(C)(C)c3ccc(Cl)c(Cl)c3)nc12
InChIInChI=1S/C18H19Cl2N3O/c1-18(2,11-7-8-12(19)13(20)9-11)10-21-17-22-14-5-4-6-15(24-3)16(14)23-17/h4-9H,10H2,1-3H3,(H2,21,22,23)
InChIKeyJABKQYHEBAPHOJ-UHFFFAOYSA-N
MW364.28 g/mol
LogP5.27
Rot. Bonds5

About N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-4-methoxy-1H-benzimidazol-2-amine

N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-4-methoxy-1H-benzimidazol-2-amine (PubChem CID 170579838) has the molecular formula C18H19Cl2N3O and a molecular weight of 364.28 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-4-methoxy-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-2-methylpropyl]-4-methoxy-1H-benzimidazol-2-amine
PubChem CID170579838
Molecular FormulaC18H19Cl2N3O
Molecular Weight364.28 g/mol
Exact Mass363.09
IUPAC NameN-[2-(3,4-dichlorophenyl)-2-methylpropyl]-4-methoxy-1H-benzimidazol-2-amine
SMILESCOc1cccc2[nH]c(NCC(C)(C)c3ccc(Cl)c(Cl)c3)nc12
InChIInChI=1S/C18H19Cl2N3O/c1-18(2,11-7-8-12(19)13(20)9-11)10-21-17-22-14-5-4-6-15(24-3)16(14)23-17/h4-9H,10H2,1-3H3,(H2,21,22,23)
InChIKeyJABKQYHEBAPHOJ-UHFFFAOYSA-N
XLogP5.27
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.28
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-N-methyl-1H-benzimidazole-4-carboxamide
CID 170578668
4-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 84618412
2-[[2-(4-cyanophenyl)-2-methylpropyl]amino]-1H-benzimidazole-4-carbonitrile
CID 170579962
1-(4-methoxy-1H-benzimidazol-2-yl)ethanethiol
CID 166986048
2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine
CID 82081284
4-[(4-methoxy-1H-benzimidazol-2-yl)amino]phenol
CID 143998312
2-[[2-(3-chloro-4-methoxyphenyl)-2-methylpropyl]amino]acetonitrile
CID 115131477
4-methoxy-1H-benzimidazole-2-carbonitrile
CID 119084277
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60607351
N-(bromomethyl)-2-(3-chloro-4-methoxyphenyl)-2-methylpropan-1-amine
CID 115262519
1-(4-methoxy-1H-benzimidazol-2-yl)ethanone
CID 18316612
4-chloro-2-[(2-methoxyphenyl)methyl]-1H-benzimidazole
CID 60979217

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-4-methoxy-1H-benzimidazol-2-amine?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-4-methoxy-1H-benzimidazol-2-amine (CID 170579838) is N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-4-methoxy-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-4-methoxy-1H-benzimidazol-2-amine?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-4-methoxy-1H-benzimidazol-2-amine is COc1cccc2[nH]c(NCC(C)(C)c3ccc(Cl)c(Cl)c3)nc12.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-4-methoxy-1H-benzimidazol-2-amine?
The InChIKey is JABKQYHEBAPHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O/c1-18(2,11-7-8-12(19)13(20)9-11)10-21-17-22-14-5-4-6-15(24-3)16(14)23-17/h4-9H,10H2,1-3H3,(H2,21,22,23).
What are the key properties of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-4-methoxy-1H-benzimidazol-2-amine?
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-4-methoxy-1H-benzimidazol-2-amine has a molecular weight of 364.28 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-4-methoxy-1H-benzimidazol-2-amine is sourced from PubChem (CID 170579838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).