tert-butyl N-[4-[2-oxo-2-[(1-propylbenzimidazol-2-yl)amino]ethyl]phenyl]carbamate

C23H28N4O3 — CID 46557950

IUPACtert-butyl N-[4-[2-oxo-2-[(1-propylbenzimidazol-2-yl)amino]ethyl]phenyl]carbamate
SMILESCCCn1c(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)nc2ccccc21
InChIInChI=1S/C23H28N4O3/c1-5-14-27-19-9-7-6-8-18(19)25-21(27)26-20(28)15-16-10-12-17(13-11-16)24-22(29)30-23(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,24,29)(H,25,26,28)
InChIKeyZCDMWISKRWBSFP-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.97
Rot. Bonds6

About tert-butyl N-[4-[2-oxo-2-[(1-propylbenzimidazol-2-yl)amino]ethyl]phenyl]carbamate

tert-butyl N-[4-[2-oxo-2-[(1-propylbenzimidazol-2-yl)amino]ethyl]phenyl]carbamate (PubChem CID 46557950) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is tert-butyl N-[4-[2-oxo-2-[(1-propylbenzimidazol-2-yl)amino]ethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-oxo-2-[(1-propylbenzimidazol-2-yl)amino]ethyl]phenyl]carbamate
PubChem CID46557950
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Nametert-butyl N-[4-[2-oxo-2-[(1-propylbenzimidazol-2-yl)amino]ethyl]phenyl]carbamate
SMILESCCCn1c(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)nc2ccccc21
InChIInChI=1S/C23H28N4O3/c1-5-14-27-19-9-7-6-8-18(19)25-21(27)26-20(28)15-16-10-12-17(13-11-16)24-22(29)30-23(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,24,29)(H,25,26,28)
InChIKeyZCDMWISKRWBSFP-UHFFFAOYSA-N
XLogP4.97
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-propylbenzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27134350
tert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 29322747
tert-butyl N-[4-[(2-phenylacetyl)amino]phenyl]carbamate
CID 54013674
N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010
4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide
CID 35280168
tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]benzimidazol-2-yl]carbamate
CID 141483095
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 71943584
methyl 5-acetyl-4-methyl-2-[2-oxo-2-[(1-propylbenzimidazol-2-yl)amino]ethyl]-1H-pyrrole-3-carboxylate
CID 51229971
2-(2-oxoquinoxalin-1-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 16585553
3-(4-methylphenoxy)-N-(1-propylbenzimidazol-2-yl)propanamide
CID 8914517
tert-butyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]phenyl]carbamate
CID 46556125
2-(6-methyl-1-benzofuran-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 4831317

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-oxo-2-[(1-propylbenzimidazol-2-yl)amino]ethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-oxo-2-[(1-propylbenzimidazol-2-yl)amino]ethyl]phenyl]carbamate (CID 46557950) is tert-butyl N-[4-[2-oxo-2-[(1-propylbenzimidazol-2-yl)amino]ethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-oxo-2-[(1-propylbenzimidazol-2-yl)amino]ethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-oxo-2-[(1-propylbenzimidazol-2-yl)amino]ethyl]phenyl]carbamate is CCCn1c(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)nc2ccccc21.
What is the InChIKey of tert-butyl N-[4-[2-oxo-2-[(1-propylbenzimidazol-2-yl)amino]ethyl]phenyl]carbamate?
The InChIKey is ZCDMWISKRWBSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-5-14-27-19-9-7-6-8-18(19)25-21(27)26-20(28)15-16-10-12-17(13-11-16)24-22(29)30-23(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,24,29)(H,25,26,28).
What are the key properties of tert-butyl N-[4-[2-oxo-2-[(1-propylbenzimidazol-2-yl)amino]ethyl]phenyl]carbamate?
tert-butyl N-[4-[2-oxo-2-[(1-propylbenzimidazol-2-yl)amino]ethyl]phenyl]carbamate has a molecular weight of 408.50 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-oxo-2-[(1-propylbenzimidazol-2-yl)amino]ethyl]phenyl]carbamate is sourced from PubChem (CID 46557950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).