1-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-5-amine

C23H21N5O — CID 1124052

IUPAC1-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-5-amine
SMILESCOc1ccc(-n2cnc3cc(NCc4nc5ccccc5n4C)ccc32)cc1
InChIInChI=1S/C23H21N5O/c1-27-21-6-4-3-5-19(21)26-23(27)14-24-16-7-12-22-20(13-16)25-15-28(22)17-8-10-18(29-2)11-9-17/h3-13,15,24H,14H2,1-2H3
InChIKeyIFYXBNJKIJBBKW-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.53
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-5-amine

1-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-5-amine (PubChem CID 1124052) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-5-amine
PubChem CID1124052
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name1-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-5-amine
SMILESCOc1ccc(-n2cnc3cc(NCc4nc5ccccc5n4C)ccc32)cc1
InChIInChI=1S/C23H21N5O/c1-27-21-6-4-3-5-19(21)26-23(27)14-24-16-7-12-22-20(13-16)25-15-28(22)17-8-10-18(29-2)11-9-17/h3-13,15,24H,14H2,1-2H3
InChIKeyIFYXBNJKIJBBKW-UHFFFAOYSA-N
XLogP4.53
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 3697969
4-(5-methoxy-1H-1,3-benzodiazol-1-yl)aniline
CID 5328512
1-{9-isopropyl-6-[(4-methoxyphenyl)amino]-9H-purin-2-yl}-3-methylpent-1-yn-3-ol
CID 6538966
9-cyclopentyl-N(8)-(2-fluorophenyl)-N(2)-(4-methoxyphenyl)-9H-purine-2,8-diamine
CID 11647397
3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
CID 86278982
trans-N-[3-(4-methoxy-phenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-cyclohexane-1,4-diamine
CID 90389602
1-(4-methoxyphenyl)-N-(4-methylbenzyl)-1H-benzimidazol-5-amine
CID 4341432
2-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole
CID 667675
N-[7-(4-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 4905403
N-(4-methoxyphenyl)-1-methyl-1H-imidazo[4,5-c]pyridin-4-amine
CID 15266433
2-[[[1-(4-Methoxyphenyl)benzimidazol-5-yl]amino]methyl]phenol
CID 672701
6-[4-(4-methoxyphenyl)piperazin-1-yl]-7H-purine
CID 756705

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-5-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-5-amine (CID 1124052) is 1-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-5-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-5-amine is COc1ccc(-n2cnc3cc(NCc4nc5ccccc5n4C)ccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-5-amine?
The InChIKey is IFYXBNJKIJBBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-27-21-6-4-3-5-19(21)26-23(27)14-24-16-7-12-22-20(13-16)25-15-28(22)17-8-10-18(29-2)11-9-17/h3-13,15,24H,14H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-5-amine?
1-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-5-amine has a molecular weight of 383.46 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 1124052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).