N-(5-bromo-1H-indol-3-yl)-6-phenoxy-1H-benzimidazol-2-amine

C21H15BrN4O — CID 156865205

IUPACN-(5-bromo-1H-indol-3-yl)-6-phenoxy-1H-benzimidazol-2-amine
SMILESBrc1ccc2[nH]cc(Nc3nc4ccc(Oc5ccccc5)cc4[nH]3)c2c1
InChIInChI=1S/C21H15BrN4O/c22-13-6-8-17-16(10-13)20(12-23-17)26-21-24-18-9-7-15(11-19(18)25-21)27-14-4-2-1-3-5-14/h1-12,23H,(H2,24,25,26)
InChIKeyHXXQKBSCEWMRPE-UHFFFAOYSA-N
MW419.28 g/mol
LogP6.34
Rot. Bonds4

About N-(5-bromo-1H-indol-3-yl)-6-phenoxy-1H-benzimidazol-2-amine

N-(5-bromo-1H-indol-3-yl)-6-phenoxy-1H-benzimidazol-2-amine (PubChem CID 156865205) has the molecular formula C21H15BrN4O and a molecular weight of 419.28 g/mol. Its IUPAC name is N-(5-bromo-1H-indol-3-yl)-6-phenoxy-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(5-bromo-1H-indol-3-yl)-6-phenoxy-1H-benzimidazol-2-amine
PubChem CID156865205
Molecular FormulaC21H15BrN4O
Molecular Weight419.28 g/mol
Exact Mass418.04
IUPAC NameN-(5-bromo-1H-indol-3-yl)-6-phenoxy-1H-benzimidazol-2-amine
SMILESBrc1ccc2[nH]cc(Nc3nc4ccc(Oc5ccccc5)cc4[nH]3)c2c1
InChIInChI=1S/C21H15BrN4O/c22-13-6-8-17-16(10-13)20(12-23-17)26-21-24-18-9-7-15(11-19(18)25-21)27-14-4-2-1-3-5-14/h1-12,23H,(H2,24,25,26)
InChIKeyHXXQKBSCEWMRPE-UHFFFAOYSA-N
XLogP6.34
TPSA65.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.28
LogP ≤ 56.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-6-phenoxy-1H-benzimidazol-2-amine
CID 156865217
7-N,7-N-dimethyl-3-N-(6-phenoxy-1H-benzimidazol-2-yl)-1H-pyrrolo[3,2-b]pyridine-3,7-diamine
CID 167428698
N-(5-bromo-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-[3-(dimethylamino)phenoxy]-1H-benzimidazol-2-amine
CID 167428561
N-(5-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-amine
CID 156865262
6-phenoxy-N-(7-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-benzimidazol-2-amine
CID 167428582
5-bromo-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole
CID 58319592
6-bromo-N-(4-bromophenyl)-1H-benzimidazol-2-amine
CID 82563483
6-methoxy-N-(2-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562560
N-(2,3-dichlorophenyl)-6-methoxy-1H-benzimidazol-2-amine
CID 82562590
6-methoxy-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
CID 82562585
N-(5-bromo-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-chloro-1H-benzimidazol-2-amine
CID 156865294
N-(4-bromo-1H-indol-3-yl)-1H-benzimidazol-2-amine
CID 156865264

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1H-indol-3-yl)-6-phenoxy-1H-benzimidazol-2-amine?
The IUPAC name of N-(5-bromo-1H-indol-3-yl)-6-phenoxy-1H-benzimidazol-2-amine (CID 156865205) is N-(5-bromo-1H-indol-3-yl)-6-phenoxy-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(5-bromo-1H-indol-3-yl)-6-phenoxy-1H-benzimidazol-2-amine?
The canonical SMILES for N-(5-bromo-1H-indol-3-yl)-6-phenoxy-1H-benzimidazol-2-amine is Brc1ccc2[nH]cc(Nc3nc4ccc(Oc5ccccc5)cc4[nH]3)c2c1.
What is the InChIKey of N-(5-bromo-1H-indol-3-yl)-6-phenoxy-1H-benzimidazol-2-amine?
The InChIKey is HXXQKBSCEWMRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN4O/c22-13-6-8-17-16(10-13)20(12-23-17)26-21-24-18-9-7-15(11-19(18)25-21)27-14-4-2-1-3-5-14/h1-12,23H,(H2,24,25,26).
What are the key properties of N-(5-bromo-1H-indol-3-yl)-6-phenoxy-1H-benzimidazol-2-amine?
N-(5-bromo-1H-indol-3-yl)-6-phenoxy-1H-benzimidazol-2-amine has a molecular weight of 419.28 g/mol, XLogP of 6.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1H-indol-3-yl)-6-phenoxy-1H-benzimidazol-2-amine is sourced from PubChem (CID 156865205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).