N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide

C22H16N4O — CID 67686453

IUPACN-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1cc2ccccc2[nH]1
InChIInChI=1S/C22H16N4O/c27-22(20-12-15-8-4-5-9-17(15)24-20)23-16-10-11-18-19(13-16)26-21(25-18)14-6-2-1-3-7-14/h1-13,24H,(H,23,27)(H,25,26)
InChIKeyRFYMIEAHLBQJGD-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.96
Rot. Bonds3

About N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide

N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide (PubChem CID 67686453) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide
PubChem CID67686453
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC NameN-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1cc2ccccc2[nH]1
InChIInChI=1S/C22H16N4O/c27-22(20-12-15-8-4-5-9-17(15)24-20)23-16-10-11-18-19(13-16)26-21(25-18)14-6-2-1-3-7-14/h1-13,24H,(H,23,27)(H,25,26)
InChIKeyRFYMIEAHLBQJGD-UHFFFAOYSA-N
XLogP4.96
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
5-methoxy-N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44527043
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943
4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 2832124
1-(2-phenyl-3H-benzimidazol-5-yl)-3-propan-2-ylurea
CID 110776332
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 42982780
N-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 168608096
2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
ethane;2-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)-1,2,4-triazole-3-carboxamide
CID 162360643
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide (CID 67686453) is N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide is O=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide?
The InChIKey is RFYMIEAHLBQJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c27-22(20-12-15-8-4-5-9-17(15)24-20)23-16-10-11-18-19(13-16)26-21(25-18)14-6-2-1-3-7-14/h1-13,24H,(H,23,27)(H,25,26).
What are the key properties of N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide?
N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 4.96, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 67686453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).