N-tert-butyl-2-[4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide

C20H24N4O3 — CID 1017369

IUPACN-tert-butyl-2-[4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide
SMILESCC(C)(C)NC(=O)COc1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C20H24N4O3/c1-20(2,3)24-18(25)12-27-15-7-4-13(5-8-15)11-21-14-6-9-16-17(10-14)23-19(26)22-16/h4-10,21H,11-12H2,1-3H3,(H,24,25)(H2,22,23,26)
InChIKeyPECFOMDQSAZYEZ-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.76
Rot. Bonds6

About N-tert-butyl-2-[4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide

N-tert-butyl-2-[4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide (PubChem CID 1017369) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide
PubChem CID1017369
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-tert-butyl-2-[4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide
SMILESCC(C)(C)NC(=O)COc1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C20H24N4O3/c1-20(2,3)24-18(25)12-27-15-7-4-13(5-8-15)11-21-14-6-9-16-17(10-14)23-19(26)22-16/h4-10,21H,11-12H2,1-3H3,(H,24,25)(H2,22,23,26)
InChIKeyPECFOMDQSAZYEZ-UHFFFAOYSA-N
XLogP2.76
TPSA99.01 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_A(5)', 'substructure': 'N/A'}

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Related Compounds

4-(2-Benzylamino-ethoxy)-1,3-dihydro-benzoimidazol-2-one
CID 9817253
N-tert-butyl-2-[2-methoxy-4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide
CID 655834
5-{[2-(allyloxy)benzyl]amino}-1,3-dihydro-2H-benzimidazol-2-one
CID 2111513
5-{[4-(allyloxy)benzyl]amino}-1,3-dihydro-2H-benzimidazol-2-one
CID 2215000
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 2986111
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-phenoxyacetamide
CID 2988430
5-{[4-(allyloxy)-3-methoxybenzyl]amino}-1,3-dihydro-2H-benzimidazol-2-one
CID 3157951
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenoxyacetamide
CID 4367953
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-(2-methoxyphenoxy)acetamide
CID 6458101
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-(2-methylphenoxy)acetamide
CID 6459725
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-prop-2-enoxybenzamide
CID 6472813
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-(3,5-dimethylphenoxy)propanamide
CID 6500009

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide (CID 1017369) is N-tert-butyl-2-[4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide is CC(C)(C)NC(=O)COc1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of N-tert-butyl-2-[4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide?
The InChIKey is PECFOMDQSAZYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-20(2,3)24-18(25)12-27-15-7-4-13(5-8-15)11-21-14-6-9-16-17(10-14)23-19(26)22-16/h4-10,21H,11-12H2,1-3H3,(H,24,25)(H2,22,23,26).
What are the key properties of N-tert-butyl-2-[4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide?
N-tert-butyl-2-[4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide has a molecular weight of 368.44 g/mol, XLogP of 2.76, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 1017369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).