1-(4-bromo-1H-benzimidazol-2-yl)-1-(imino-λ4-sulfanylidene)-N,N-dimethylmethanamine

C10H11BrN4S — CID 143620727

IUPAC1-(4-bromo-1H-benzimidazol-2-yl)-1-(imino-λ4-sulfanylidene)-N,N-dimethylmethanamine
SMILESCN(C)C(=S=N)c1nc2c(Br)cccc2[nH]1
InChIInChI=1S/C10H11BrN4S/c1-15(2)10(16-12)9-13-7-5-3-4-6(11)8(7)14-9/h3-5,12H,1-2H3,(H,13,14)
InChIKeyKXIAJSRDTICKFU-UHFFFAOYSA-N
MW299.20 g/mol
LogP2.21
Rot. Bonds1

About 1-(4-bromo-1H-benzimidazol-2-yl)-1-(imino-λ4-sulfanylidene)-N,N-dimethylmethanamine

1-(4-bromo-1H-benzimidazol-2-yl)-1-(imino-λ4-sulfanylidene)-N,N-dimethylmethanamine (PubChem CID 143620727) has the molecular formula C10H11BrN4S and a molecular weight of 299.20 g/mol. Its IUPAC name is 1-(4-bromo-1H-benzimidazol-2-yl)-1-(imino-λ4-sulfanylidene)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-1H-benzimidazol-2-yl)-1-(imino-λ4-sulfanylidene)-N,N-dimethylmethanamine
PubChem CID143620727
Molecular FormulaC10H11BrN4S
Molecular Weight299.20 g/mol
Exact Mass297.99
IUPAC Name1-(4-bromo-1H-benzimidazol-2-yl)-1-(imino-λ4-sulfanylidene)-N,N-dimethylmethanamine
SMILESCN(C)C(=S=N)c1nc2c(Br)cccc2[nH]1
InChIInChI=1S/C10H11BrN4S/c1-15(2)10(16-12)9-13-7-5-3-4-6(11)8(7)14-9/h3-5,12H,1-2H3,(H,13,14)
InChIKeyKXIAJSRDTICKFU-UHFFFAOYSA-N
XLogP2.21
TPSA55.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-methyl-1H-benzimidazole-2-carboxamide
CID 176661682
2-(4-bromo-1H-benzimidazol-2-yl)ethanol
CID 83866918
4-bromo-2-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole
CID 114271458
2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine
CID 83866913
2-(4-bromo-1H-benzimidazol-2-yl)-4-iodophenol
CID 136951440
(4-bromo-1H-benzimidazol-2-yl) carbamate
CID 175381527
(4-bromo-1H-benzimidazol-2-yl)methyl-tert-butylcarbamic acid
CID 135150259
4-bromo-2-(1-ethylcyclopentyl)-1H-benzimidazole
CID 114271481
methyl 4-(4-bromo-1H-benzimidazol-2-yl)benzoate
CID 166067422
5-bromo-1H-quinoxalin-2-one
CID 10537149
4-[(4-bromo-1H-benzimidazol-2-yl)methyl]benzoic acid
CID 175326506
4-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 114271483

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1H-benzimidazol-2-yl)-1-(imino-λ4-sulfanylidene)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4-bromo-1H-benzimidazol-2-yl)-1-(imino-λ4-sulfanylidene)-N,N-dimethylmethanamine (CID 143620727) is 1-(4-bromo-1H-benzimidazol-2-yl)-1-(imino-λ4-sulfanylidene)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4-bromo-1H-benzimidazol-2-yl)-1-(imino-λ4-sulfanylidene)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4-bromo-1H-benzimidazol-2-yl)-1-(imino-λ4-sulfanylidene)-N,N-dimethylmethanamine is CN(C)C(=S=N)c1nc2c(Br)cccc2[nH]1.
What is the InChIKey of 1-(4-bromo-1H-benzimidazol-2-yl)-1-(imino-λ4-sulfanylidene)-N,N-dimethylmethanamine?
The InChIKey is KXIAJSRDTICKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4S/c1-15(2)10(16-12)9-13-7-5-3-4-6(11)8(7)14-9/h3-5,12H,1-2H3,(H,13,14).
What are the key properties of 1-(4-bromo-1H-benzimidazol-2-yl)-1-(imino-λ4-sulfanylidene)-N,N-dimethylmethanamine?
1-(4-bromo-1H-benzimidazol-2-yl)-1-(imino-λ4-sulfanylidene)-N,N-dimethylmethanamine has a molecular weight of 299.20 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1H-benzimidazol-2-yl)-1-(imino-λ4-sulfanylidene)-N,N-dimethylmethanamine is sourced from PubChem (CID 143620727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).