N-(4-bromo-1H-indol-3-yl)-1H-benzimidazol-2-amine

C15H11BrN4 — CID 156865264

IUPACN-(4-bromo-1H-indol-3-yl)-1H-benzimidazol-2-amine
SMILESBrc1cccc2[nH]cc(Nc3nc4ccccc4[nH]3)c12
InChIInChI=1S/C15H11BrN4/c16-9-4-3-7-12-14(9)13(8-17-12)20-15-18-10-5-1-2-6-11(10)19-15/h1-8,17H,(H2,18,19,20)
InChIKeyVXGIJFZNOFVWPG-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.55
Rot. Bonds2

About N-(4-bromo-1H-indol-3-yl)-1H-benzimidazol-2-amine

N-(4-bromo-1H-indol-3-yl)-1H-benzimidazol-2-amine (PubChem CID 156865264) has the molecular formula C15H11BrN4 and a molecular weight of 327.19 g/mol. Its IUPAC name is N-(4-bromo-1H-indol-3-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-1H-indol-3-yl)-1H-benzimidazol-2-amine
PubChem CID156865264
Molecular FormulaC15H11BrN4
Molecular Weight327.19 g/mol
Exact Mass326.02
IUPAC NameN-(4-bromo-1H-indol-3-yl)-1H-benzimidazol-2-amine
SMILESBrc1cccc2[nH]cc(Nc3nc4ccccc4[nH]3)c12
InChIInChI=1S/C15H11BrN4/c16-9-4-3-7-12-14(9)13(8-17-12)20-15-18-10-5-1-2-6-11(10)19-15/h1-8,17H,(H2,18,19,20)
InChIKeyVXGIJFZNOFVWPG-UHFFFAOYSA-N
XLogP4.55
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-amine
CID 156865262
N-(2-chlorophenyl)-1H-benzimidazol-2-amine
CID 4088446
N-(2-methylphenyl)-1H-benzimidazol-2-amine
CID 923872
N-(2-methylphenyl)-1H-benzimidazol-2-amine;hydrochloride
CID 22288832
N-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
CID 15602783
N-(1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 80548130
2-(2-bromoanilino)-3H-benzimidazole-5-carboxylic acid
CID 68520464
N-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-6-phenoxy-1H-benzimidazol-2-amine
CID 156865217
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine
CID 15604437
ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine
CID 143181783
N-(5-bromo-1H-indol-3-yl)-6-phenoxy-1H-benzimidazol-2-amine
CID 156865205

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1H-indol-3-yl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(4-bromo-1H-indol-3-yl)-1H-benzimidazol-2-amine (CID 156865264) is N-(4-bromo-1H-indol-3-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(4-bromo-1H-indol-3-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(4-bromo-1H-indol-3-yl)-1H-benzimidazol-2-amine is Brc1cccc2[nH]cc(Nc3nc4ccccc4[nH]3)c12.
What is the InChIKey of N-(4-bromo-1H-indol-3-yl)-1H-benzimidazol-2-amine?
The InChIKey is VXGIJFZNOFVWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4/c16-9-4-3-7-12-14(9)13(8-17-12)20-15-18-10-5-1-2-6-11(10)19-15/h1-8,17H,(H2,18,19,20).
What are the key properties of N-(4-bromo-1H-indol-3-yl)-1H-benzimidazol-2-amine?
N-(4-bromo-1H-indol-3-yl)-1H-benzimidazol-2-amine has a molecular weight of 327.19 g/mol, XLogP of 4.55, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1H-indol-3-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 156865264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).