N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]pyrazine-2-carboxamide

C26H21N5O — CID 46290496

IUPACN-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)c1cnccn1
InChIInChI=1S/C26H21N5O/c32-26(23-18-27-16-17-28-23)29-20-13-10-19(11-14-20)12-15-25-30-22-8-4-5-9-24(22)31(25)21-6-2-1-3-7-21/h1-11,13-14,16-18H,12,15H2,(H,29,32)
InChIKeyDEVOEYWPAGVACO-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.85
Rot. Bonds6

About N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]pyrazine-2-carboxamide

N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]pyrazine-2-carboxamide (PubChem CID 46290496) has the molecular formula C26H21N5O and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]pyrazine-2-carboxamide
PubChem CID46290496
Molecular FormulaC26H21N5O
Molecular Weight419.49 g/mol
Exact Mass419.17
IUPAC NameN-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)c1cnccn1
InChIInChI=1S/C26H21N5O/c32-26(23-18-27-16-17-28-23)29-20-13-10-19(11-14-20)12-15-25-30-22-8-4-5-9-24(22)31(25)21-6-2-1-3-7-21/h1-11,13-14,16-18H,12,15H2,(H,29,32)
InChIKeyDEVOEYWPAGVACO-UHFFFAOYSA-N
XLogP4.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-phenoxy-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 92866618
N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 46290501
3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 46290493
1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382224
1-(2,5-dimethylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382396
N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide
CID 46290663
1-(3-chlorophenyl)-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382241
2-chloro-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 46379549
1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
CID 46382333
1-(2-methoxy-5-methylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382413
2,4,5-trimethyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972167
N-[[4-(benzimidazol-1-yl)phenyl]methyl]pyrazine-2-carboxamide
CID 49004009

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]pyrazine-2-carboxamide (CID 46290496) is N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]pyrazine-2-carboxamide is O=C(Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)c1cnccn1.
What is the InChIKey of N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]pyrazine-2-carboxamide?
The InChIKey is DEVOEYWPAGVACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O/c32-26(23-18-27-16-17-28-23)29-20-13-10-19(11-14-20)12-15-25-30-22-8-4-5-9-24(22)31(25)21-6-2-1-3-7-21/h1-11,13-14,16-18H,12,15H2,(H,29,32).
What are the key properties of N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]pyrazine-2-carboxamide?
N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]pyrazine-2-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 46290496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).