N-[1-(1-butyl-5-propylsulfanylbenzimidazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide

C28H32N4OS — CID 134083552

IUPACN-[1-(1-butyl-5-propylsulfanylbenzimidazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide
SMILESCCCCn1c(C(Cc2ccccc2)NC(=O)c2ccccn2)nc2cc(SCCC)ccc21
InChIInChI=1S/C28H32N4OS/c1-3-5-17-32-26-15-14-22(34-18-4-2)20-24(26)30-27(32)25(19-21-11-7-6-8-12-21)31-28(33)23-13-9-10-16-29-23/h6-16,20,25H,3-5,17-19H2,1-2H3,(H,31,33)
InChIKeySDXUIBNSDGFOEJ-UHFFFAOYSA-N
MW472.66 g/mol
LogP6.45
Rot. Bonds11

About N-[1-(1-butyl-5-propylsulfanylbenzimidazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide

N-[1-(1-butyl-5-propylsulfanylbenzimidazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide (PubChem CID 134083552) has the molecular formula C28H32N4OS and a molecular weight of 472.66 g/mol. Its IUPAC name is N-[1-(1-butyl-5-propylsulfanylbenzimidazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-butyl-5-propylsulfanylbenzimidazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide
PubChem CID134083552
Molecular FormulaC28H32N4OS
Molecular Weight472.66 g/mol
Exact Mass472.23
IUPAC NameN-[1-(1-butyl-5-propylsulfanylbenzimidazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide
SMILESCCCCn1c(C(Cc2ccccc2)NC(=O)c2ccccn2)nc2cc(SCCC)ccc21
InChIInChI=1S/C28H32N4OS/c1-3-5-17-32-26-15-14-22(34-18-4-2)20-24(26)30-27(32)25(19-21-11-7-6-8-12-21)31-28(33)23-13-9-10-16-29-23/h6-16,20,25H,3-5,17-19H2,1-2H3,(H,31,33)
InChIKeySDXUIBNSDGFOEJ-UHFFFAOYSA-N
XLogP6.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.66
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-[(3-chlorophenyl)methyl]-5-propylsulfanylbenzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 134083577
N-[1-[1-[(3-chlorophenyl)methyl]-5-propylsulfanylbenzimidazol-2-yl]-2-phenylethyl]quinoxaline-6-carboxamide
CID 134083588
N-[1-[1-[(3-chlorophenyl)methyl]-5-propylsulfanylbenzimidazol-2-yl]-2-phenylethyl]-4-methoxybenzamide
CID 134083587
N-[1-[6-methoxy-1-(2-phenylethyl)benzimidazol-2-yl]-2-phenylethyl]pyrazine-2-carboxamide
CID 134083673
N-[1-[1-(2-hydroxyethyl)benzimidazol-2-yl]-2-phenylethyl]benzamide
CID 4738031
N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966746
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559
N-[1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-phenylethyl]benzamide
CID 3739139
N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 110204343
N-[1-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966726
tert-butyl N-[1-[1-butyl-6-[3-(diethylamino)propoxy]benzimidazol-2-yl]-2-(3-phenylmethoxyphenyl)ethyl]carbamate
CID 10282752
N-[(1S)-1-(1-ethylbenzimidazol-2-yl)-2-phenylethyl]-2,2-dimethylpropanamide
CID 751348

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-butyl-5-propylsulfanylbenzimidazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(1-butyl-5-propylsulfanylbenzimidazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide (CID 134083552) is N-[1-(1-butyl-5-propylsulfanylbenzimidazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(1-butyl-5-propylsulfanylbenzimidazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(1-butyl-5-propylsulfanylbenzimidazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide is CCCCn1c(C(Cc2ccccc2)NC(=O)c2ccccn2)nc2cc(SCCC)ccc21.
What is the InChIKey of N-[1-(1-butyl-5-propylsulfanylbenzimidazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide?
The InChIKey is SDXUIBNSDGFOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4OS/c1-3-5-17-32-26-15-14-22(34-18-4-2)20-24(26)30-27(32)25(19-21-11-7-6-8-12-21)31-28(33)23-13-9-10-16-29-23/h6-16,20,25H,3-5,17-19H2,1-2H3,(H,31,33).
What are the key properties of N-[1-(1-butyl-5-propylsulfanylbenzimidazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide?
N-[1-(1-butyl-5-propylsulfanylbenzimidazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide has a molecular weight of 472.66 g/mol, XLogP of 6.45, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-butyl-5-propylsulfanylbenzimidazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide is sourced from PubChem (CID 134083552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).