N-[(4-bromothiophen-2-yl)methyl]-N,1-dimethylbenzimidazol-2-amine

C14H14BrN3S — CID 115144026

IUPACN-[(4-bromothiophen-2-yl)methyl]-N,1-dimethylbenzimidazol-2-amine
SMILESCN(Cc1cc(Br)cs1)c1nc2ccccc2n1C
InChIInChI=1S/C14H14BrN3S/c1-17(8-11-7-10(15)9-19-11)14-16-12-5-3-4-6-13(12)18(14)2/h3-7,9H,8H2,1-2H3
InChIKeyGRFWQSXGMQXFPI-UHFFFAOYSA-N
MW336.26 g/mol
LogP4.03
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-N,1-dimethylbenzimidazol-2-amine

N-[(4-bromothiophen-2-yl)methyl]-N,1-dimethylbenzimidazol-2-amine (PubChem CID 115144026) has the molecular formula C14H14BrN3S and a molecular weight of 336.26 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N,1-dimethylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N,1-dimethylbenzimidazol-2-amine
PubChem CID115144026
Molecular FormulaC14H14BrN3S
Molecular Weight336.26 g/mol
Exact Mass335.01
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N,1-dimethylbenzimidazol-2-amine
SMILESCN(Cc1cc(Br)cs1)c1nc2ccccc2n1C
InChIInChI=1S/C14H14BrN3S/c1-17(8-11-7-10(15)9-19-11)14-16-12-5-3-4-6-13(12)18(14)2/h3-7,9H,8H2,1-2H3
InChIKeyGRFWQSXGMQXFPI-UHFFFAOYSA-N
XLogP4.03
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N,1-dimethylbenzimidazol-2-amine
CID 71723450
N,1-dimethyl-N-(2-phenylethyl)benzimidazol-2-amine
CID 115144055
N,1-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzimidazol-2-amine
CID 115144025
N-[(4-bromothiophen-2-yl)methyl]-3-(chloromethyl)-N-methylquinolin-2-amine
CID 63541779
1-[(4-bromothiophen-2-yl)methyl]-2-ethylbenzimidazole
CID 63106530
5-[methyl-(1-methylbenzimidazol-2-yl)amino]pentan-1-ol
CID 107203489
N-(2-bromoethyl)-1-methyl-N-pentan-3-ylbenzimidazol-2-amine
CID 80680419
1-[(4-bromothiophen-2-yl)methyl]-3-methylquinoxalin-2-one
CID 62375019
N-(cyclohexylmethyl)-N,1-dimethylbenzimidazol-2-amine
CID 115144037
N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,2,5-trimethylpyrimidin-4-amine
CID 63729831
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 64623899
4-bromo-2-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazole
CID 79754486

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N,1-dimethylbenzimidazol-2-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N,1-dimethylbenzimidazol-2-amine (CID 115144026) is N-[(4-bromothiophen-2-yl)methyl]-N,1-dimethylbenzimidazol-2-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N,1-dimethylbenzimidazol-2-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N,1-dimethylbenzimidazol-2-amine is CN(Cc1cc(Br)cs1)c1nc2ccccc2n1C.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N,1-dimethylbenzimidazol-2-amine?
The InChIKey is GRFWQSXGMQXFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3S/c1-17(8-11-7-10(15)9-19-11)14-16-12-5-3-4-6-13(12)18(14)2/h3-7,9H,8H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N,1-dimethylbenzimidazol-2-amine?
N-[(4-bromothiophen-2-yl)methyl]-N,1-dimethylbenzimidazol-2-amine has a molecular weight of 336.26 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N,1-dimethylbenzimidazol-2-amine is sourced from PubChem (CID 115144026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).