3-chloro-N-[(1,5-dimethylbenzimidazol-2-yl)methyl]aniline

C16H16ClN3 — CID 60835526

IUPAC3-chloro-N-[(1,5-dimethylbenzimidazol-2-yl)methyl]aniline
SMILESCc1ccc2c(c1)nc(CNc1cccc(Cl)c1)n2C
InChIInChI=1S/C16H16ClN3/c1-11-6-7-15-14(8-11)19-16(20(15)2)10-18-13-5-3-4-12(17)9-13/h3-9,18H,10H2,1-2H3
InChIKeyGCBQMNHRHFFPFJ-UHFFFAOYSA-N
MW285.78 g/mol
LogP4.15
Rot. Bonds3

About 3-chloro-N-[(1,5-dimethylbenzimidazol-2-yl)methyl]aniline

3-chloro-N-[(1,5-dimethylbenzimidazol-2-yl)methyl]aniline (PubChem CID 60835526) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 3-chloro-N-[(1,5-dimethylbenzimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-chloro-N-[(1,5-dimethylbenzimidazol-2-yl)methyl]aniline
PubChem CID60835526
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name3-chloro-N-[(1,5-dimethylbenzimidazol-2-yl)methyl]aniline
SMILESCc1ccc2c(c1)nc(CNc1cccc(Cl)c1)n2C
InChIInChI=1S/C16H16ClN3/c1-11-6-7-15-14(8-11)19-16(20(15)2)10-18-13-5-3-4-12(17)9-13/h3-9,18H,10H2,1-2H3
InChIKeyGCBQMNHRHFFPFJ-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

4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol
CID 60833755
N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methylaniline
CID 115472350
1-(1,5-dimethylbenzimidazol-2-yl)-N-methylmethanamine
CID 60785141
3-chloro-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]aniline
CID 43524731
N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine
CID 133480328
N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine
CID 133480310
3-chloro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 62695858
3-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]aniline
CID 115339576
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
2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol
CID 82333350
N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine
CID 133480272

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1,5-dimethylbenzimidazol-2-yl)methyl]aniline?
The IUPAC name of 3-chloro-N-[(1,5-dimethylbenzimidazol-2-yl)methyl]aniline (CID 60835526) is 3-chloro-N-[(1,5-dimethylbenzimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 3-chloro-N-[(1,5-dimethylbenzimidazol-2-yl)methyl]aniline?
The canonical SMILES for 3-chloro-N-[(1,5-dimethylbenzimidazol-2-yl)methyl]aniline is Cc1ccc2c(c1)nc(CNc1cccc(Cl)c1)n2C.
What is the InChIKey of 3-chloro-N-[(1,5-dimethylbenzimidazol-2-yl)methyl]aniline?
The InChIKey is GCBQMNHRHFFPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-11-6-7-15-14(8-11)19-16(20(15)2)10-18-13-5-3-4-12(17)9-13/h3-9,18H,10H2,1-2H3.
What are the key properties of 3-chloro-N-[(1,5-dimethylbenzimidazol-2-yl)methyl]aniline?
3-chloro-N-[(1,5-dimethylbenzimidazol-2-yl)methyl]aniline 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 3-chloro-N-[(1,5-dimethylbenzimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 60835526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).