2-[[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoylamino]-N,2-diphenylacetamide

C27H27N5O3 — CID 55911891

IUPAC2-[[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoylamino]-N,2-diphenylacetamide
SMILESCOc1ccc(C(NC(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)c2nccn2C)cc1
InChIInChI=1S/C27H27N5O3/c1-32-18-17-28-25(32)23(20-13-15-22(35-2)16-14-20)30-27(34)31-24(19-9-5-3-6-10-19)26(33)29-21-11-7-4-8-12-21/h3-18,23-24H,1-2H3,(H,29,33)(H2,30,31,34)
InChIKeyJHQLWIUOYFCYFX-UHFFFAOYSA-N
MW469.55 g/mol
LogP4.20
Rot. Bonds8

About 2-[[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoylamino]-N,2-diphenylacetamide

2-[[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoylamino]-N,2-diphenylacetamide (PubChem CID 55911891) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is 2-[[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoylamino]-N,2-diphenylacetamide.

Molecular Properties

Compound Name2-[[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoylamino]-N,2-diphenylacetamide
PubChem CID55911891
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC Name2-[[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoylamino]-N,2-diphenylacetamide
SMILESCOc1ccc(C(NC(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)c2nccn2C)cc1
InChIInChI=1S/C27H27N5O3/c1-32-18-17-28-25(32)23(20-13-15-22(35-2)16-14-20)30-27(34)31-24(19-9-5-3-6-10-19)26(33)29-21-11-7-4-8-12-21/h3-18,23-24H,1-2H3,(H,29,33)(H2,30,31,34)
InChIKeyJHQLWIUOYFCYFX-UHFFFAOYSA-N
XLogP4.20
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzamido-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46537794
1-(3,4-dichlorophenyl)-3-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25325163
1-(2-anilino-3-methylbutyl)-3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 78886445
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 46529258
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 42924338
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1R)-1-phenylethyl]urea
CID 36515652
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1S)-1-phenylethyl]urea
CID 36515644
1-[(2R)-2-hydroxypropyl]-3-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 94027654
1-[(2-methoxyphenyl)methyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea
CID 38202343
4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 46653959

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoylamino]-N,2-diphenylacetamide?
The IUPAC name of 2-[[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoylamino]-N,2-diphenylacetamide (CID 55911891) is 2-[[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoylamino]-N,2-diphenylacetamide.
What is the SMILES notation for 2-[[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoylamino]-N,2-diphenylacetamide?
The canonical SMILES for 2-[[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoylamino]-N,2-diphenylacetamide is COc1ccc(C(NC(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)c2nccn2C)cc1.
What is the InChIKey of 2-[[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoylamino]-N,2-diphenylacetamide?
The InChIKey is JHQLWIUOYFCYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c1-32-18-17-28-25(32)23(20-13-15-22(35-2)16-14-20)30-27(34)31-24(19-9-5-3-6-10-19)26(33)29-21-11-7-4-8-12-21/h3-18,23-24H,1-2H3,(H,29,33)(H2,30,31,34).
What are the key properties of 2-[[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoylamino]-N,2-diphenylacetamide?
2-[[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoylamino]-N,2-diphenylacetamide has a molecular weight of 469.55 g/mol, XLogP of 4.20, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoylamino]-N,2-diphenylacetamide is sourced from PubChem (CID 55911891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).