1-[(4-methoxyphenyl)methyl]-2,5,6-trimethylbenzimidazol-4-amine

C18H21N3O — CID 1479156

IUPAC1-[(4-methoxyphenyl)methyl]-2,5,6-trimethylbenzimidazol-4-amine
SMILESCOc1ccc(Cn2c(C)nc3c(N)c(C)c(C)cc32)cc1
InChIInChI=1S/C18H21N3O/c1-11-9-16-18(17(19)12(11)2)20-13(3)21(16)10-14-5-7-15(22-4)8-6-14/h5-9H,10,19H2,1-4H3
InChIKeyXMQXMFALUHOZBS-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.60
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]-2,5,6-trimethylbenzimidazol-4-amine

1-[(4-methoxyphenyl)methyl]-2,5,6-trimethylbenzimidazol-4-amine (PubChem CID 1479156) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2,5,6-trimethylbenzimidazol-4-amine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-2,5,6-trimethylbenzimidazol-4-amine
PubChem CID1479156
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-[(4-methoxyphenyl)methyl]-2,5,6-trimethylbenzimidazol-4-amine
SMILESCOc1ccc(Cn2c(C)nc3c(N)c(C)c(C)cc32)cc1
InChIInChI=1S/C18H21N3O/c1-11-9-16-18(17(19)12(11)2)20-13(3)21(16)10-14-5-7-15(22-4)8-6-14/h5-9H,10,19H2,1-4H3
InChIKeyXMQXMFALUHOZBS-UHFFFAOYSA-N
XLogP3.60
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-1-[(4-methoxyphenyl)methyl]-2-methyl-4-nitrobenzimidazole
CID 121269988
3-[(4-methoxyphenyl)methyl]-4-methyl-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine
CID 175063779
5-bromo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 43661463
[3-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-c]quinolin-8-yl]boronic acid
CID 175991372
methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 134360348
5-amino-4-chloro-1-[(4-methoxyphenyl)methyl]pyrrole-2-thiol
CID 146323564
4-[(5-methoxy-2-methylindol-1-yl)methyl]aniline
CID 19779449
6-amino-7-chloro-3-[(4-methoxyphenyl)methyl]-2-methylquinazolin-4-one
CID 43812768
4-hydroxy-7-methoxy-1-[(4-methoxyphenyl)methyl]-3-methyl-1,5-naphthyridin-2-one
CID 167037612
1-[(4-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626601
1-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[2,3-d]pyridazine
CID 19437773
1-[(4-methoxyphenyl)methyl]-5-methylindazol-4-amine
CID 146288251

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-2,5,6-trimethylbenzimidazol-4-amine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2,5,6-trimethylbenzimidazol-4-amine (CID 1479156) is 1-[(4-methoxyphenyl)methyl]-2,5,6-trimethylbenzimidazol-4-amine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2,5,6-trimethylbenzimidazol-4-amine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2,5,6-trimethylbenzimidazol-4-amine is COc1ccc(Cn2c(C)nc3c(N)c(C)c(C)cc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2,5,6-trimethylbenzimidazol-4-amine?
The InChIKey is XMQXMFALUHOZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-11-9-16-18(17(19)12(11)2)20-13(3)21(16)10-14-5-7-15(22-4)8-6-14/h5-9H,10,19H2,1-4H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-2,5,6-trimethylbenzimidazol-4-amine?
1-[(4-methoxyphenyl)methyl]-2,5,6-trimethylbenzimidazol-4-amine has a molecular weight of 295.39 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-2,5,6-trimethylbenzimidazol-4-amine is sourced from PubChem (CID 1479156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).