N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methylaniline

C16H16ClN3 — CID 115472350

IUPACN-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2nc3ccc(Cl)cc3n2C)cc1
InChIInChI=1S/C16H16ClN3/c1-11-3-6-13(7-4-11)18-10-16-19-14-8-5-12(17)9-15(14)20(16)2/h3-9,18H,10H2,1-2H3
InChIKeyKOYLANYCEJDWCD-UHFFFAOYSA-N
MW285.78 g/mol
LogP4.15
Rot. Bonds3

About N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methylaniline

N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methylaniline (PubChem CID 115472350) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methylaniline.

Molecular Properties

Compound NameN-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methylaniline
PubChem CID115472350
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC NameN-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2nc3ccc(Cl)cc3n2C)cc1
InChIInChI=1S/C16H16ClN3/c1-11-3-6-13(7-4-11)18-10-16-19-14-8-5-12(17)9-15(14)20(16)2/h3-9,18H,10H2,1-2H3
InChIKeyKOYLANYCEJDWCD-UHFFFAOYSA-N
XLogP4.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-methylaniline
CID 115472577
3-chloro-N-[(1,5-dimethylbenzimidazol-2-yl)methyl]aniline
CID 60835526
4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol
CID 60833755
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-methylbenzimidazole
CID 46310370
2-(6-chloro-1-methylbenzimidazol-2-yl)acetic acid
CID 83849999
6-chloro-1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole
CID 46310363
2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol
CID 107679286
3,5-dichloro-4-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107572808
4-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylaniline
CID 104698561
6-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole
CID 46310358
N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-N-methylacetamide
CID 18733884
N-[(1-methylbenzimidazol-2-yl)methyl]-4-[4-(3-methylphenyl)piperazin-1-yl]aniline
CID 7309525

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methylaniline?
The IUPAC name of N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methylaniline (CID 115472350) is N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methylaniline.
What is the SMILES notation for N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methylaniline?
The canonical SMILES for N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methylaniline is Cc1ccc(NCc2nc3ccc(Cl)cc3n2C)cc1.
What is the InChIKey of N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methylaniline?
The InChIKey is KOYLANYCEJDWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-11-3-6-13(7-4-11)18-10-16-19-14-8-5-12(17)9-15(14)20(16)2/h3-9,18H,10H2,1-2H3.
What are the key properties of N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methylaniline?
N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methylaniline has a molecular weight of 285.78 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methylaniline is sourced from PubChem (CID 115472350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).