N-[3-[4-[cyclopropyloxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide

C21H21N3O2 — CID 91494497

IUPACN-[3-[4-[cyclopropyloxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(C(OC3CC3)c3cnc[nH]3)cc2)c1
InChIInChI=1S/C21H21N3O2/c1-14(25)24-18-4-2-3-17(11-18)15-5-7-16(8-6-15)21(26-19-9-10-19)20-12-22-13-23-20/h2-8,11-13,19,21H,9-10H2,1H3,(H,22,23)(H,24,25)
InChIKeyHOLDCIANANEEFW-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.30
Rot. Bonds6

About N-[3-[4-[cyclopropyloxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide

N-[3-[4-[cyclopropyloxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide (PubChem CID 91494497) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[3-[4-[cyclopropyloxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[cyclopropyloxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide
PubChem CID91494497
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[3-[4-[cyclopropyloxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(C(OC3CC3)c3cnc[nH]3)cc2)c1
InChIInChI=1S/C21H21N3O2/c1-14(25)24-18-4-2-3-17(11-18)15-5-7-16(8-6-15)21(26-19-9-10-19)20-12-22-13-23-20/h2-8,11-13,19,21H,9-10H2,1H3,(H,22,23)(H,24,25)
InChIKeyHOLDCIANANEEFW-UHFFFAOYSA-N
XLogP4.30
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1H-imidazol-5-yl)phenyl]cyclopentanecarboxamide
CID 110668538
N-[3-(1H-indazol-5-yl)phenyl]acetamide
CID 56712448
N-[3-[4-(2-aminocyclopentyl)phenyl]phenyl]acetamide
CID 69112748
N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]acetamide
CID 21472770
4-(3-acetamidophenyl)benzoate
CID 86306420
N-[3-[5-[4-(methanesulfonamido)phenyl]-3-pyridinyl]phenyl]acetamide
CID 155560591
5-(3-acetamidophenyl)pyridine-2-carboxylic acid
CID 50998543
6-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223644
2-[4-(3-acetamidophenyl)phenyl]cyclopentane-1-carboxamide
CID 18006334
N-[3-(cyclopropylamino)phenyl]acetamide
CID 45119286
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
N-[3-[1H-imidazol-5-yl-(2-methoxyphenyl)methyl]phenyl]-2-(oxan-4-yl)acetamide
CID 172505752

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[cyclopropyloxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[cyclopropyloxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide (CID 91494497) is N-[3-[4-[cyclopropyloxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[cyclopropyloxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[cyclopropyloxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccc(C(OC3CC3)c3cnc[nH]3)cc2)c1.
What is the InChIKey of N-[3-[4-[cyclopropyloxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide?
The InChIKey is HOLDCIANANEEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14(25)24-18-4-2-3-17(11-18)15-5-7-16(8-6-15)21(26-19-9-10-19)20-12-22-13-23-20/h2-8,11-13,19,21H,9-10H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-[3-[4-[cyclopropyloxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide?
N-[3-[4-[cyclopropyloxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[cyclopropyloxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide is sourced from PubChem (CID 91494497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).