N-[(3-bromophenyl)methyl]-2-(1H-indazol-3-yl)-1H-benzimidazole-4-carboxamide

C22H16BrN5O — CID 135750756

IUPACN-[(3-bromophenyl)methyl]-2-(1H-indazol-3-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1cccc2[nH]c(-c3n[nH]c4ccccc34)nc12
InChIInChI=1S/C22H16BrN5O/c23-14-6-3-5-13(11-14)12-24-22(29)16-8-4-10-18-19(16)26-21(25-18)20-15-7-1-2-9-17(15)27-28-20/h1-11H,12H2,(H,24,29)(H,25,26)(H,27,28)
InChIKeyAQDLFBQKGVZQOM-UHFFFAOYSA-N
MW446.31 g/mol
LogP4.80
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-2-(1H-indazol-3-yl)-1H-benzimidazole-4-carboxamide

N-[(3-bromophenyl)methyl]-2-(1H-indazol-3-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 135750756) has the molecular formula C22H16BrN5O and a molecular weight of 446.31 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-(1H-indazol-3-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-(1H-indazol-3-yl)-1H-benzimidazole-4-carboxamide
PubChem CID135750756
Molecular FormulaC22H16BrN5O
Molecular Weight446.31 g/mol
Exact Mass445.05
IUPAC NameN-[(3-bromophenyl)methyl]-2-(1H-indazol-3-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1cccc2[nH]c(-c3n[nH]c4ccccc34)nc12
InChIInChI=1S/C22H16BrN5O/c23-14-6-3-5-13(11-14)12-24-22(29)16-8-4-10-18-19(16)26-21(25-18)20-15-7-1-2-9-17(15)27-28-20/h1-11H,12H2,(H,24,29)(H,25,26)(H,27,28)
InChIKeyAQDLFBQKGVZQOM-UHFFFAOYSA-N
XLogP4.80
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.31
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indazol-3-yl)-N-[(4-nitrophenyl)methyl]-1H-benzimidazole-4-carboxamide
CID 135750644
N-[(4-bromo-2-fluorophenyl)methyl]-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 135750768
N-[(3-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 61410076
N-[(3-bromophenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 46857821
2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide
CID 107939159
6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 175535401
N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80717878
N-[(4-chloro-2,6-difluorophenyl)methyl]-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 135750770
N-[(3-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78916794
6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61414092
1-[(3-bromophenyl)methyl]-3-naphthalen-1-ylurea
CID 108884702
N-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide
CID 24903437

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-(1H-indazol-3-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-(1H-indazol-3-yl)-1H-benzimidazole-4-carboxamide (CID 135750756) is N-[(3-bromophenyl)methyl]-2-(1H-indazol-3-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-(1H-indazol-3-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-(1H-indazol-3-yl)-1H-benzimidazole-4-carboxamide is O=C(NCc1cccc(Br)c1)c1cccc2[nH]c(-c3n[nH]c4ccccc34)nc12.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-(1H-indazol-3-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is AQDLFBQKGVZQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN5O/c23-14-6-3-5-13(11-14)12-24-22(29)16-8-4-10-18-19(16)26-21(25-18)20-15-7-1-2-9-17(15)27-28-20/h1-11H,12H2,(H,24,29)(H,25,26)(H,27,28).
What are the key properties of N-[(3-bromophenyl)methyl]-2-(1H-indazol-3-yl)-1H-benzimidazole-4-carboxamide?
N-[(3-bromophenyl)methyl]-2-(1H-indazol-3-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 446.31 g/mol, XLogP of 4.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-(1H-indazol-3-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 135750756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).