N-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]-N-phenylbenzamide

C25H25N5O2 — CID 78893478

IUPACN-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]-N-phenylbenzamide
SMILESCc1nc2ccccc2n1CCNC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C25H25N5O2/c1-18-27-22-13-6-7-14-23(22)30(18)16-15-26-25(32)28-20-10-8-9-19(17-20)24(31)29(2)21-11-4-3-5-12-21/h3-14,17H,15-16H2,1-2H3,(H2,26,28,32)
InChIKeyZOBHNZVVSRSOBP-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.44
Rot. Bonds6

About N-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]-N-phenylbenzamide

N-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]-N-phenylbenzamide (PubChem CID 78893478) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]-N-phenylbenzamide.

Molecular Properties

Compound NameN-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]-N-phenylbenzamide
PubChem CID78893478
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]-N-phenylbenzamide
SMILESCc1nc2ccccc2n1CCNC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C25H25N5O2/c1-18-27-22-13-6-7-14-23(22)30(18)16-15-26-25(32)28-20-10-8-9-19(17-20)24(31)29(2)21-11-4-3-5-12-21/h3-14,17H,15-16H2,1-2H3,(H2,26,28,32)
InChIKeyZOBHNZVVSRSOBP-UHFFFAOYSA-N
XLogP4.44
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825397
1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 71898971
N-(3-cyanophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]benzamide
CID 78893496
3-[(3-bromobenzoyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 112832627
1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 20955716
1-(3-bromophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]thiourea
CID 9237587
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 112825680
1-(2,4-difluorophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 46287063
3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-N-methyl-N-phenylbenzamide
CID 87010500
1-(3,4-dimethylphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea
CID 46287188
3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54820939

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]-N-phenylbenzamide?
The IUPAC name of N-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]-N-phenylbenzamide (CID 78893478) is N-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]-N-phenylbenzamide.
What is the SMILES notation for N-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]-N-phenylbenzamide?
The canonical SMILES for N-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]-N-phenylbenzamide is Cc1nc2ccccc2n1CCNC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1.
What is the InChIKey of N-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]-N-phenylbenzamide?
The InChIKey is ZOBHNZVVSRSOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-18-27-22-13-6-7-14-23(22)30(18)16-15-26-25(32)28-20-10-8-9-19(17-20)24(31)29(2)21-11-4-3-5-12-21/h3-14,17H,15-16H2,1-2H3,(H2,26,28,32).
What are the key properties of N-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]-N-phenylbenzamide?
N-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]-N-phenylbenzamide has a molecular weight of 427.51 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]-N-phenylbenzamide is sourced from PubChem (CID 78893478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).