N-(4-chloro-3-cyanophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chloro-3-cyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-naphthalen-2-yl-2-(2-phenylbenzimidazol-1-yl)acetamide;N-naphthalen-2-yl-2-(2-pyridin-2-ylbenzimidazol-1-yl)propanamide

C91H67Cl2N17O4 — CID 157478356

IUPACN-(4-chloro-3-cyanophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chloro-3-cyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-naphthalen-2-yl-2-(2-phenylbenzimidazol-1-yl)acetamide;N-naphthalen-2-yl-2-(2-pyridin-2-ylbenzimidazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc2ccccc2c1)n1c(-c2ccccn2)nc2ccccc21.N#Cc1cc(NC(=O)Cn2c(-c3ccccn3)nc3ccccc32)ccc1Cl.N#Cc1cc(NC(=O)Cn2c(C3=CCC=N3)nc3ccccc32)ccc1Cl.O=C(Cn1c(-c2ccccc2)nc2ccccc21)Nc1ccc2ccccc2c1
InChIInChI=1S/C25H20N4O.C25H19N3O.C21H14ClN5O.C20H14ClN5O/c1-17(25(30)27-20-14-13-18-8-2-3-9-19(18)16-20)29-23-12-5-4-10-21(23)28-24(29)22-11-6-7-15-26-22;29-24(26-21-15-14-18-8-4-5-11-20(18)16-21)17-28-23-13-7-6-12-22(23)27-25(28)19-9-2-1-3-10-19;22-16-9-8-15(11-14(16)12-23)25-20(28)13-27-19-7-2-1-5-17(19)26-21(27)18-6-3-4-10-24-18;21-15-8-7-14(10-13(15)11-22)24-19(27)12-26-18-6-2-1-4-16(18)25-20(26)17-5-3-9-23-17/h2-17H,1H3,(H,27,30);1-16H,17H2,(H,26,29);1-11H,13H2,(H,25,28);1-2,4-10H,3,12H2,(H,24,27)
InChIKeyBVWBUCOSFFBBBR-UHFFFAOYSA-N
MW1533.56 g/mol
LogP19.22
Rot. Bonds16

About N-(4-chloro-3-cyanophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chloro-3-cyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-naphthalen-2-yl-2-(2-phenylbenzimidazol-1-yl)acetamide;N-naphthalen-2-yl-2-(2-pyridin-2-ylbenzimidazol-1-yl)propanamide

N-(4-chloro-3-cyanophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chloro-3-cyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-naphthalen-2-yl-2-(2-phenylbenzimidazol-1-yl)acetamide;N-naphthalen-2-yl-2-(2-pyridin-2-ylbenzimidazol-1-yl)propanamide (PubChem CID 157478356) has the molecular formula C91H67Cl2N17O4 and a molecular weight of 1533.56 g/mol. Its IUPAC name is N-(4-chloro-3-cyanophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chloro-3-cyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-naphthalen-2-yl-2-(2-phenylbenzimidazol-1-yl)acetamide;N-naphthalen-2-yl-2-(2-pyridin-2-ylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-3-cyanophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chloro-3-cyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-naphthalen-2-yl-2-(2-phenylbenzimidazol-1-yl)acetamide;N-naphthalen-2-yl-2-(2-pyridin-2-ylbenzimidazol-1-yl)propanamide
PubChem CID157478356
Molecular FormulaC91H67Cl2N17O4
Molecular Weight1533.56 g/mol
Exact Mass1531.49
IUPAC NameN-(4-chloro-3-cyanophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chloro-3-cyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-naphthalen-2-yl-2-(2-phenylbenzimidazol-1-yl)acetamide;N-naphthalen-2-yl-2-(2-pyridin-2-ylbenzimidazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc2ccccc2c1)n1c(-c2ccccn2)nc2ccccc21.N#Cc1cc(NC(=O)Cn2c(-c3ccccn3)nc3ccccc32)ccc1Cl.N#Cc1cc(NC(=O)Cn2c(C3=CCC=N3)nc3ccccc32)ccc1Cl.O=C(Cn1c(-c2ccccc2)nc2ccccc21)Nc1ccc2ccccc2c1
InChIInChI=1S/C25H20N4O.C25H19N3O.C21H14ClN5O.C20H14ClN5O/c1-17(25(30)27-20-14-13-18-8-2-3-9-19(18)16-20)29-23-12-5-4-10-21(23)28-24(29)22-11-6-7-15-26-22;29-24(26-21-15-14-18-8-4-5-11-20(18)16-21)17-28-23-13-7-6-12-22(23)27-25(28)19-9-2-1-3-10-19;22-16-9-8-15(11-14(16)12-23)25-20(28)13-27-19-7-2-1-5-17(19)26-21(27)18-6-3-4-10-24-18;21-15-8-7-14(10-13(15)11-22)24-19(27)12-26-18-6-2-1-4-16(18)25-20(26)17-5-3-9-23-17/h2-17H,1H3,(H,27,30);1-16H,17H2,(H,26,29);1-11H,13H2,(H,25,28);1-2,4-10H,3,12H2,(H,24,27)
InChIKeyBVWBUCOSFFBBBR-UHFFFAOYSA-N
XLogP19.22
TPSA273.40 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001533.56
LogP ≤ 519.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze N-(4-chloro-3-cyanophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chloro-3-cyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-naphthalen-2-yl-2-(2-phenylbenzimidazol-1-yl)acetamide;N-naphthalen-2-yl-2-(2-pyridin-2-ylbenzimidazol-1-yl)propanamide with MolForge

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Related Compounds

bis(N-(4-chlorophenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide);N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-isocyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide
CID 159638432
N-(3-chloro-4-isocyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-(6-chloro-3-pyridinyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-(5-chloropyrimidin-2-yl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-(4-methylphenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 160630521
N-(4-fluorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032697
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
2-(2-phenylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 17032674
N-(3,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033048
N-(1,3-benzothiazol-2-yl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 30867708
N-[1-[1-[2-(4-cyanoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 5002112
N-[(1R)-1-[1-[2-(4-cyanoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 41102600
4-[[2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetyl]amino]benzoic acid
CID 84572954
N-(benzylideneamino)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 3673852
N-(4-methoxyphenyl)-2-[2-(3-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032844

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-cyanophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chloro-3-cyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-naphthalen-2-yl-2-(2-phenylbenzimidazol-1-yl)acetamide;N-naphthalen-2-yl-2-(2-pyridin-2-ylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-(4-chloro-3-cyanophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chloro-3-cyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-naphthalen-2-yl-2-(2-phenylbenzimidazol-1-yl)acetamide;N-naphthalen-2-yl-2-(2-pyridin-2-ylbenzimidazol-1-yl)propanamide (CID 157478356) is N-(4-chloro-3-cyanophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chloro-3-cyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-naphthalen-2-yl-2-(2-phenylbenzimidazol-1-yl)acetamide;N-naphthalen-2-yl-2-(2-pyridin-2-ylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(4-chloro-3-cyanophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chloro-3-cyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-naphthalen-2-yl-2-(2-phenylbenzimidazol-1-yl)acetamide;N-naphthalen-2-yl-2-(2-pyridin-2-ylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-(4-chloro-3-cyanophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chloro-3-cyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-naphthalen-2-yl-2-(2-phenylbenzimidazol-1-yl)acetamide;N-naphthalen-2-yl-2-(2-pyridin-2-ylbenzimidazol-1-yl)propanamide is CC(C(=O)Nc1ccc2ccccc2c1)n1c(-c2ccccn2)nc2ccccc21.N#Cc1cc(NC(=O)Cn2c(-c3ccccn3)nc3ccccc32)ccc1Cl.N#Cc1cc(NC(=O)Cn2c(C3=CCC=N3)nc3ccccc32)ccc1Cl.O=C(Cn1c(-c2ccccc2)nc2ccccc21)Nc1ccc2ccccc2c1.
What is the InChIKey of N-(4-chloro-3-cyanophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chloro-3-cyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-naphthalen-2-yl-2-(2-phenylbenzimidazol-1-yl)acetamide;N-naphthalen-2-yl-2-(2-pyridin-2-ylbenzimidazol-1-yl)propanamide?
The InChIKey is BVWBUCOSFFBBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O.C25H19N3O.C21H14ClN5O.C20H14ClN5O/c1-17(25(30)27-20-14-13-18-8-2-3-9-19(18)16-20)29-23-12-5-4-10-21(23)28-24(29)22-11-6-7-15-26-22;29-24(26-21-15-14-18-8-4-5-11-20(18)16-21)17-28-23-13-7-6-12-22(23)27-25(28)19-9-2-1-3-10-19;22-16-9-8-15(11-14(16)12-23)25-20(28)13-27-19-7-2-1-5-17(19)26-21(27)18-6-3-4-10-24-18;21-15-8-7-14(10-13(15)11-22)24-19(27)12-26-18-6-2-1-4-16(18)25-20(26)17-5-3-9-23-17/h2-17H,1H3,(H,27,30);1-16H,17H2,(H,26,29);1-11H,13H2,(H,25,28);1-2,4-10H,3,12H2,(H,24,27).
What are the key properties of N-(4-chloro-3-cyanophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chloro-3-cyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-naphthalen-2-yl-2-(2-phenylbenzimidazol-1-yl)acetamide;N-naphthalen-2-yl-2-(2-pyridin-2-ylbenzimidazol-1-yl)propanamide?
N-(4-chloro-3-cyanophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chloro-3-cyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-naphthalen-2-yl-2-(2-phenylbenzimidazol-1-yl)acetamide;N-naphthalen-2-yl-2-(2-pyridin-2-ylbenzimidazol-1-yl)propanamide has a molecular weight of 1533.56 g/mol, XLogP of 19.22, 16 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-cyanophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chloro-3-cyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-naphthalen-2-yl-2-(2-phenylbenzimidazol-1-yl)acetamide;N-naphthalen-2-yl-2-(2-pyridin-2-ylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 157478356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).