N-(3-cyanophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]benzamide

C25H22N6O2 — CID 78893496

IUPACN-(3-cyanophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]benzamide
SMILESCc1nc2ccccc2n1CCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C25H22N6O2/c1-17-28-22-10-2-3-11-23(22)31(17)13-12-27-25(33)30-21-9-5-7-19(15-21)24(32)29-20-8-4-6-18(14-20)16-26/h2-11,14-15H,12-13H2,1H3,(H,29,32)(H2,27,30,33)
InChIKeyDUIJYFZXTUHHHP-UHFFFAOYSA-N
MW438.49 g/mol
LogP4.29
Rot. Bonds6

About N-(3-cyanophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]benzamide

N-(3-cyanophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]benzamide (PubChem CID 78893496) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]benzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]benzamide
PubChem CID78893496
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC NameN-(3-cyanophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]benzamide
SMILESCc1nc2ccccc2n1CCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C25H22N6O2/c1-17-28-22-10-2-3-11-23(22)31(17)13-12-27-25(33)30-21-9-5-7-19(15-21)24(32)29-20-8-4-6-18(14-20)16-26/h2-11,14-15H,12-13H2,1H3,(H,29,32)(H2,27,30,33)
InChIKeyDUIJYFZXTUHHHP-UHFFFAOYSA-N
XLogP4.29
TPSA111.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825397
3-[(3-bromobenzoyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 112832627
N-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]-N-phenylbenzamide
CID 78893478
1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 71898971
3-cyano-N-(1-methylbenzimidazol-2-yl)benzamide
CID 35280472
3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 40716416
1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 20955716
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 26444132
1-(2,4-difluorophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 46287063
2-(2-cyanophenyl)sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 33439704
3-[(3-cyanophenyl)carbamoylamino]-4-methyl-N-phenylbenzamide
CID 141480879

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]benzamide?
The IUPAC name of N-(3-cyanophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]benzamide (CID 78893496) is N-(3-cyanophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]benzamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]benzamide?
The canonical SMILES for N-(3-cyanophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]benzamide is Cc1nc2ccccc2n1CCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]benzamide?
The InChIKey is DUIJYFZXTUHHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c1-17-28-22-10-2-3-11-23(22)31(17)13-12-27-25(33)30-21-9-5-7-19(15-21)24(32)29-20-8-4-6-18(14-20)16-26/h2-11,14-15H,12-13H2,1H3,(H,29,32)(H2,27,30,33).
What are the key properties of N-(3-cyanophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]benzamide?
N-(3-cyanophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]benzamide has a molecular weight of 438.49 g/mol, XLogP of 4.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]benzamide is sourced from PubChem (CID 78893496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).