N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

C20H23N5O3 — CID 33154220

IUPACN-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)Nc2ccc(NC(N)=O)cc2)c2ccccc21
InChIInChI=1S/C20H23N5O3/c1-2-12-24-16-5-3-4-6-17(16)25(20(24)28)13-11-18(26)22-14-7-9-15(10-8-14)23-19(21)27/h3-10H,2,11-13H2,1H3,(H,22,26)(H3,21,23,27)
InChIKeyQALFXDLKGHYHJL-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.73
Rot. Bonds7

About N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (PubChem CID 33154220) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
PubChem CID33154220
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)Nc2ccc(NC(N)=O)cc2)c2ccccc21
InChIInChI=1S/C20H23N5O3/c1-2-12-24-16-5-3-4-6-17(16)25(20(24)28)13-11-18(26)22-14-7-9-15(10-8-14)23-19(21)27/h3-10H,2,11-13H2,1H3,(H,22,26)(H3,21,23,27)
InChIKeyQALFXDLKGHYHJL-UHFFFAOYSA-N
XLogP2.73
TPSA111.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]benzoate
CID 27007290
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 24638182
methyl 2-[4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]phenoxy]acetate
CID 55709096
N-(3-amino-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 119419381
N-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 16574720
N-(3-chloro-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 18292823
N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16591399
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 17464567
N-(4-butan-2-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16592019
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 38467641
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 60570598
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-quinolin-2-ylpropanamide
CID 55450942

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (CID 33154220) is N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is CCCn1c(=O)n(CCC(=O)Nc2ccc(NC(N)=O)cc2)c2ccccc21.
What is the InChIKey of N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The InChIKey is QALFXDLKGHYHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-2-12-24-16-5-3-4-6-17(16)25(20(24)28)13-11-18(26)22-14-7-9-15(10-8-14)23-19(21)27/h3-10H,2,11-13H2,1H3,(H,22,26)(H3,21,23,27).
What are the key properties of N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide has a molecular weight of 381.44 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 33154220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).