N-(bromomethyl)-2-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine

C14H20BrN3 — CID 115262607

IUPACN-(bromomethyl)-2-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine
SMILESCc1nc2cc(C(C)(C)CNCBr)ccc2n1C
InChIInChI=1S/C14H20BrN3/c1-10-17-12-7-11(5-6-13(12)18(10)4)14(2,3)8-16-9-15/h5-7,16H,8-9H2,1-4H3
InChIKeyIMNYCNOSSXECMU-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.10
Rot. Bonds4

About N-(bromomethyl)-2-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine

N-(bromomethyl)-2-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine (PubChem CID 115262607) has the molecular formula C14H20BrN3 and a molecular weight of 310.24 g/mol. Its IUPAC name is N-(bromomethyl)-2-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(bromomethyl)-2-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine
PubChem CID115262607
Molecular FormulaC14H20BrN3
Molecular Weight310.24 g/mol
Exact Mass309.08
IUPAC NameN-(bromomethyl)-2-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine
SMILESCc1nc2cc(C(C)(C)CNCBr)ccc2n1C
InChIInChI=1S/C14H20BrN3/c1-10-17-12-7-11(5-6-13(12)18(10)4)14(2,3)8-16-9-15/h5-7,16H,8-9H2,1-4H3
InChIKeyIMNYCNOSSXECMU-UHFFFAOYSA-N
XLogP3.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

5,6-Dimethylbenzimidazole
CID 675
Lerisetron
CID 65997
5-Methylbenzimidazole
CID 11979
2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
5,6-dimethyl-1-((4-methylphenyl)methyl)-1H-1,3-benzodiazole
CID 962387
4-((1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl)-Amino)-Benzamidine
CID 445756
CID 321677
CID 321677
Stk857277
CID 950737
1-Benzyl-2-methylbenzimidazole
CID 759305
2-Cyclohexyl-1-methylbenzimidazole
CID 2991075
4-(5-methyl-1H-1,3-benzodiazol-2-yl)aniline
CID 803963
1,2-dibenzyl-1H-1,3-benzodiazole
CID 1350539

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-2-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine?
The IUPAC name of N-(bromomethyl)-2-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine (CID 115262607) is N-(bromomethyl)-2-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(bromomethyl)-2-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine?
The canonical SMILES for N-(bromomethyl)-2-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine is Cc1nc2cc(C(C)(C)CNCBr)ccc2n1C.
What is the InChIKey of N-(bromomethyl)-2-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine?
The InChIKey is IMNYCNOSSXECMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3/c1-10-17-12-7-11(5-6-13(12)18(10)4)14(2,3)8-16-9-15/h5-7,16H,8-9H2,1-4H3.
What are the key properties of N-(bromomethyl)-2-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine?
N-(bromomethyl)-2-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine has a molecular weight of 310.24 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-2-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 115262607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).