N-[4-(1H-imidazol-2-yl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide

C20H21N5O2 — CID 60613400

IUPACN-[4-(1H-imidazol-2-yl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)c1
InChIInChI=1S/C20H21N5O2/c1-13(2)23-20(27)25-17-5-3-4-15(12-17)19(26)24-16-8-6-14(7-9-16)18-21-10-11-22-18/h3-13H,1-2H3,(H,21,22)(H,24,26)(H2,23,25,27)
InChIKeyPTRKZPAGOIXTQP-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.86
Rot. Bonds5

About N-[4-(1H-imidazol-2-yl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide

N-[4-(1H-imidazol-2-yl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 60613400) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[4-(1H-imidazol-2-yl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[4-(1H-imidazol-2-yl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID60613400
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[4-(1H-imidazol-2-yl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)c1
InChIInChI=1S/C20H21N5O2/c1-13(2)23-20(27)25-17-5-3-4-15(12-17)19(26)24-16-8-6-14(7-9-16)18-21-10-11-22-18/h3-13H,1-2H3,(H,21,22)(H,24,26)(H2,23,25,27)
InChIKeyPTRKZPAGOIXTQP-UHFFFAOYSA-N
XLogP3.86
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-[3-(1H-imidazol-2-yl)phenyl]benzamide
CID 110472407
N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55814774
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55649936
1-propan-2-yl-3-[3-[(1H-pyrrole-2-carbonylamino)carbamoyl]phenyl]urea
CID 78868165
N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 17197451
N-[4-(1H-imidazol-2-yl)phenyl]-2,6-dimethoxybenzamide
CID 110726514
4-amino-N-[3-(1H-imidazol-2-yl)phenyl]benzamide
CID 110474517
N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
CID 38039799
N-[4-(1H-imidazol-2-yl)phenyl]-3-methylbutanamide
CID 60613262
3-[(4-phenylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197336
3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17197361

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazol-2-yl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[4-(1H-imidazol-2-yl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide (CID 60613400) is N-[4-(1H-imidazol-2-yl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[4-(1H-imidazol-2-yl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[4-(1H-imidazol-2-yl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide is CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)c1.
What is the InChIKey of N-[4-(1H-imidazol-2-yl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is PTRKZPAGOIXTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13(2)23-20(27)25-17-5-3-4-15(12-17)19(26)24-16-8-6-14(7-9-16)18-21-10-11-22-18/h3-13H,1-2H3,(H,21,22)(H,24,26)(H2,23,25,27).
What are the key properties of N-[4-(1H-imidazol-2-yl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide?
N-[4-(1H-imidazol-2-yl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 363.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-2-yl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 60613400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).