N'-[2-(imidazol-1-ylmethyl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indol-4-yl)oxamide

C20H21N5O2 — CID 167894801

IUPACN'-[2-(imidazol-1-ylmethyl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indol-4-yl)oxamide
SMILESO=C(Nc1ccccc1Cn1ccnc1)C(=O)NC1CCCc2[nH]ccc21
InChIInChI=1S/C20H21N5O2/c26-19(20(27)24-18-7-3-6-17-15(18)8-9-22-17)23-16-5-2-1-4-14(16)12-25-11-10-21-13-25/h1-2,4-5,8-11,13,18,22H,3,6-7,12H2,(H,23,26)(H,24,27)
InChIKeyLJXOEWANALUEDA-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.39
Rot. Bonds4

About N'-[2-(imidazol-1-ylmethyl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indol-4-yl)oxamide

N'-[2-(imidazol-1-ylmethyl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indol-4-yl)oxamide (PubChem CID 167894801) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N'-[2-(imidazol-1-ylmethyl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indol-4-yl)oxamide.

Molecular Properties

Compound NameN'-[2-(imidazol-1-ylmethyl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indol-4-yl)oxamide
PubChem CID167894801
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN'-[2-(imidazol-1-ylmethyl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indol-4-yl)oxamide
SMILESO=C(Nc1ccccc1Cn1ccnc1)C(=O)NC1CCCc2[nH]ccc21
InChIInChI=1S/C20H21N5O2/c26-19(20(27)24-18-7-3-6-17-15(18)8-9-22-17)23-16-5-2-1-4-14(16)12-25-11-10-21-13-25/h1-2,4-5,8-11,13,18,22H,3,6-7,12H2,(H,23,26)(H,24,27)
InChIKeyLJXOEWANALUEDA-UHFFFAOYSA-N
XLogP2.39
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-imidazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 17491802
methoxymethyl N-[2-(imidazol-1-ylmethyl)phenyl]carbamate
CID 57306427
2-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-oxo-N-(2-propylphenyl)acetamide
CID 91650901
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(imidazol-1-ylmethyl)benzamide
CID 122157429
2-(cyclopropylmethylamino)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119838755
1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
CID 56553525
methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate
CID 70825151
N-[2-(pyrrolidin-1-ylmethyl)phenyl]imidazole-1-carboxamide
CID 81257336
1-[(2-imidazol-1-ylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 60580591
3-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119838744
(2R)-N-[2-(imidazol-1-ylmethyl)phenyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 52502947
N-(3,4-dihydro-2H-chromen-4-yl)-4-(imidazol-1-ylmethyl)benzamide
CID 47036571

Frequently Asked Questions

What is the IUPAC name of N'-[2-(imidazol-1-ylmethyl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indol-4-yl)oxamide?
The IUPAC name of N'-[2-(imidazol-1-ylmethyl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indol-4-yl)oxamide (CID 167894801) is N'-[2-(imidazol-1-ylmethyl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indol-4-yl)oxamide.
What is the SMILES notation for N'-[2-(imidazol-1-ylmethyl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indol-4-yl)oxamide?
The canonical SMILES for N'-[2-(imidazol-1-ylmethyl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indol-4-yl)oxamide is O=C(Nc1ccccc1Cn1ccnc1)C(=O)NC1CCCc2[nH]ccc21.
What is the InChIKey of N'-[2-(imidazol-1-ylmethyl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indol-4-yl)oxamide?
The InChIKey is LJXOEWANALUEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-19(20(27)24-18-7-3-6-17-15(18)8-9-22-17)23-16-5-2-1-4-14(16)12-25-11-10-21-13-25/h1-2,4-5,8-11,13,18,22H,3,6-7,12H2,(H,23,26)(H,24,27).
What are the key properties of N'-[2-(imidazol-1-ylmethyl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indol-4-yl)oxamide?
N'-[2-(imidazol-1-ylmethyl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indol-4-yl)oxamide has a molecular weight of 363.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(imidazol-1-ylmethyl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indol-4-yl)oxamide is sourced from PubChem (CID 167894801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).