1-[(2-chloro-6-methoxyphenyl)methyl]-6-methylbenzimidazol-2-amine

C16H16ClN3O — CID 103293052

IUPAC1-[(2-chloro-6-methoxyphenyl)methyl]-6-methylbenzimidazol-2-amine
SMILESCOc1cccc(Cl)c1Cn1c(N)nc2ccc(C)cc21
InChIInChI=1S/C16H16ClN3O/c1-10-6-7-13-14(8-10)20(16(18)19-13)9-11-12(17)4-3-5-15(11)21-2/h3-8H,9H2,1-2H3,(H2,18,19)
InChIKeySETXETSPEVKWLM-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.64
Rot. Bonds3

About 1-[(2-chloro-6-methoxyphenyl)methyl]-6-methylbenzimidazol-2-amine

1-[(2-chloro-6-methoxyphenyl)methyl]-6-methylbenzimidazol-2-amine (PubChem CID 103293052) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 1-[(2-chloro-6-methoxyphenyl)methyl]-6-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-[(2-chloro-6-methoxyphenyl)methyl]-6-methylbenzimidazol-2-amine
PubChem CID103293052
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name1-[(2-chloro-6-methoxyphenyl)methyl]-6-methylbenzimidazol-2-amine
SMILESCOc1cccc(Cl)c1Cn1c(N)nc2ccc(C)cc21
InChIInChI=1S/C16H16ClN3O/c1-10-6-7-13-14(8-10)20(16(18)19-13)9-11-12(17)4-3-5-15(11)21-2/h3-8H,9H2,1-2H3,(H2,18,19)
InChIKeySETXETSPEVKWLM-UHFFFAOYSA-N
XLogP3.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methoxyphenyl)ethyl]-6-methylbenzimidazol-2-amine
CID 107853170
6-methyl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763119
1-(2-chloro-5-methylphenyl)-4-methoxybenzimidazol-2-amine
CID 107637295
1-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylbenzimidazol-2-amine
CID 112671160
6-chloro-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine
CID 115470581
ethyl 3-[(2,6-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 18681136
2-[1-[(2-chloro-6-methoxyphenyl)methyl]-5-methylimidazol-2-yl]sulfanylacetic acid
CID 103293179
1-[(2-chloro-6-methoxyphenyl)methyl]-4-thiophen-3-ylimidazol-2-amine
CID 67114111
1-[(2,6-dichlorophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001690
1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole
CID 45104451
6-chloro-3-[(2-chloro-6-methoxyphenyl)methyl]-5-methyl-1H-pyrimidine-2,4-dione
CID 103293707
1-[(2,6-dichlorophenyl)methyl]-2-(4-methoxyphenyl)benzimidazole
CID 18879455

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-methoxyphenyl)methyl]-6-methylbenzimidazol-2-amine?
The IUPAC name of 1-[(2-chloro-6-methoxyphenyl)methyl]-6-methylbenzimidazol-2-amine (CID 103293052) is 1-[(2-chloro-6-methoxyphenyl)methyl]-6-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-[(2-chloro-6-methoxyphenyl)methyl]-6-methylbenzimidazol-2-amine?
The canonical SMILES for 1-[(2-chloro-6-methoxyphenyl)methyl]-6-methylbenzimidazol-2-amine is COc1cccc(Cl)c1Cn1c(N)nc2ccc(C)cc21.
What is the InChIKey of 1-[(2-chloro-6-methoxyphenyl)methyl]-6-methylbenzimidazol-2-amine?
The InChIKey is SETXETSPEVKWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-10-6-7-13-14(8-10)20(16(18)19-13)9-11-12(17)4-3-5-15(11)21-2/h3-8H,9H2,1-2H3,(H2,18,19).
What are the key properties of 1-[(2-chloro-6-methoxyphenyl)methyl]-6-methylbenzimidazol-2-amine?
1-[(2-chloro-6-methoxyphenyl)methyl]-6-methylbenzimidazol-2-amine has a molecular weight of 301.78 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-methoxyphenyl)methyl]-6-methylbenzimidazol-2-amine is sourced from PubChem (CID 103293052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).