N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,2-dimethylbenzimidazol-4-amine

C20H21N5O — CID 66679630

IUPACN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,2-dimethylbenzimidazol-4-amine
SMILESCOc1cc(Nc2cccc3c2nc(C)n3C)ccc1-n1cnc(C)c1
InChIInChI=1S/C20H21N5O/c1-13-11-25(12-21-13)17-9-8-15(10-19(17)26-4)23-16-6-5-7-18-20(16)22-14(2)24(18)3/h5-12,23H,1-4H3
InChIKeyBBYCLPSSRHOZFH-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.13
Rot. Bonds4

About N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,2-dimethylbenzimidazol-4-amine

N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,2-dimethylbenzimidazol-4-amine (PubChem CID 66679630) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,2-dimethylbenzimidazol-4-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,2-dimethylbenzimidazol-4-amine
PubChem CID66679630
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,2-dimethylbenzimidazol-4-amine
SMILESCOc1cc(Nc2cccc3c2nc(C)n3C)ccc1-n1cnc(C)c1
InChIInChI=1S/C20H21N5O/c1-13-11-25(12-21-13)17-9-8-15(10-19(17)26-4)23-16-6-5-7-18-20(16)22-14(2)24(18)3/h5-12,23H,1-4H3
InChIKeyBBYCLPSSRHOZFH-UHFFFAOYSA-N
XLogP4.13
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

AZ191
CID 72716071
8-Fluoro-6-Methoxy-3,4-Dimethyl-1-(3-Methylpyridin-4-Yl)imidazo[1,5-A]quinoxaline
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9-Cyclopentyl-6-(2-(3-imidazol-1-yl-propoxy)-phenylamino)-9H-purine-2-carbonitrile
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4-(5-methoxy-1H-1,3-benzodiazol-1-yl)aniline
CID 5328512
7-(3-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 23646630
8-Fluoro-6-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline
CID 42630192
6-N-cyclohexyl-2-N-(2-ethoxy-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine
CID 46927301
4-[6-Methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxalin-8-yl]morpholine
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N6-cyclohexyl-N2-(2-methoxy-4-piperazin-1-yl-phenyl)-9H-purine-2,6-diamine
CID 68452965
6-methoxy-2-pyridin-2-yl-1H-benzimidazole
CID 186762
1-[4-[4-[(4-Imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56659844
1-[4-[4-[(4-Imidazo[1,2-a]pyridin-3-yl-5-methoxypyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56673689

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,2-dimethylbenzimidazol-4-amine?
The IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,2-dimethylbenzimidazol-4-amine (CID 66679630) is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,2-dimethylbenzimidazol-4-amine.
What is the SMILES notation for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,2-dimethylbenzimidazol-4-amine?
The canonical SMILES for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,2-dimethylbenzimidazol-4-amine is COc1cc(Nc2cccc3c2nc(C)n3C)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,2-dimethylbenzimidazol-4-amine?
The InChIKey is BBYCLPSSRHOZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-13-11-25(12-21-13)17-9-8-15(10-19(17)26-4)23-16-6-5-7-18-20(16)22-14(2)24(18)3/h5-12,23H,1-4H3.
What are the key properties of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,2-dimethylbenzimidazol-4-amine?
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,2-dimethylbenzimidazol-4-amine has a molecular weight of 347.42 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,2-dimethylbenzimidazol-4-amine is sourced from PubChem (CID 66679630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).