N-(5-bromo-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-chloro-1H-benzimidazol-2-amine

C14H9BrClN5 — CID 156865294

IUPACN-(5-bromo-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-chloro-1H-benzimidazol-2-amine
SMILESClc1ccc2nc(Nc3c[nH]c4ccc(Br)nc34)[nH]c2c1
InChIInChI=1S/C14H9BrClN5/c15-12-4-3-9-13(21-12)11(6-17-9)20-14-18-8-2-1-7(16)5-10(8)19-14/h1-6,17H,(H2,18,19,20)
InChIKeyFGTFPTGRGUMIGH-UHFFFAOYSA-N
MW362.62 g/mol
LogP4.60
Rot. Bonds2

About N-(5-bromo-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-chloro-1H-benzimidazol-2-amine

N-(5-bromo-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-chloro-1H-benzimidazol-2-amine (PubChem CID 156865294) has the molecular formula C14H9BrClN5 and a molecular weight of 362.62 g/mol. Its IUPAC name is N-(5-bromo-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-chloro-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(5-bromo-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-chloro-1H-benzimidazol-2-amine
PubChem CID156865294
Molecular FormulaC14H9BrClN5
Molecular Weight362.62 g/mol
Exact Mass360.97
IUPAC NameN-(5-bromo-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-chloro-1H-benzimidazol-2-amine
SMILESClc1ccc2nc(Nc3c[nH]c4ccc(Br)nc34)[nH]c2c1
InChIInChI=1S/C14H9BrClN5/c15-12-4-3-9-13(21-12)11(6-17-9)20-14-18-8-2-1-7(16)5-10(8)19-14/h1-6,17H,(H2,18,19,20)
InChIKeyFGTFPTGRGUMIGH-UHFFFAOYSA-N
XLogP4.60
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.62
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-propan-2-yl-1H-benzimidazol-2-amine
CID 167428648
N-(5-bromo-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-[3-(dimethylamino)phenoxy]-1H-benzimidazol-2-amine
CID 167428561
1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
6-chloro-N-(5-chloro-2-methylphenyl)-1H-benzimidazol-2-amine
CID 82562664
N-(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-(2-methylprop-1-enyl)-1H-benzimidazol-2-amine
CID 167428583
6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride
CID 24970552
N-(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-5,6-bis(2-methoxyethoxy)-1H-benzimidazol-2-amine
CID 167428637
N-tert-butyl-6-chloro-1H-benzimidazol-2-amine
CID 119086306
N-[3-[(6-chloro-1H-benzimidazol-2-yl)amino]phenyl]acetamide
CID 82562667
N-(5-bromo-1H-indol-3-yl)-6-phenoxy-1H-benzimidazol-2-amine
CID 156865205
6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82562708
2-[(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)amino]-1H-benzimidazole-4-carbonitrile
CID 167428543

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-chloro-1H-benzimidazol-2-amine?
The IUPAC name of N-(5-bromo-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-chloro-1H-benzimidazol-2-amine (CID 156865294) is N-(5-bromo-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-chloro-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(5-bromo-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-chloro-1H-benzimidazol-2-amine?
The canonical SMILES for N-(5-bromo-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-chloro-1H-benzimidazol-2-amine is Clc1ccc2nc(Nc3c[nH]c4ccc(Br)nc34)[nH]c2c1.
What is the InChIKey of N-(5-bromo-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-chloro-1H-benzimidazol-2-amine?
The InChIKey is FGTFPTGRGUMIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN5/c15-12-4-3-9-13(21-12)11(6-17-9)20-14-18-8-2-1-7(16)5-10(8)19-14/h1-6,17H,(H2,18,19,20).
What are the key properties of N-(5-bromo-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-chloro-1H-benzimidazol-2-amine?
N-(5-bromo-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-chloro-1H-benzimidazol-2-amine has a molecular weight of 362.62 g/mol, XLogP of 4.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-chloro-1H-benzimidazol-2-amine is sourced from PubChem (CID 156865294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).