2-(4,5-dimethylimidazol-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide

C18H21N5O — CID 90647674

IUPAC2-(4,5-dimethylimidazol-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
SMILESCc1ncn(CC(=O)NC(c2ccccc2)c2nccn2C)c1C
InChIInChI=1S/C18H21N5O/c1-13-14(2)23(12-20-13)11-16(24)21-17(15-7-5-4-6-8-15)18-19-9-10-22(18)3/h4-10,12,17H,11H2,1-3H3,(H,21,24)
InChIKeyDORFHOSWXQBBCX-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.14
Rot. Bonds5

About 2-(4,5-dimethylimidazol-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide

2-(4,5-dimethylimidazol-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide (PubChem CID 90647674) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
PubChem CID90647674
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
SMILESCc1ncn(CC(=O)NC(c2ccccc2)c2nccn2C)c1C
InChIInChI=1S/C18H21N5O/c1-13-14(2)23(12-20-13)11-16(24)21-17(15-7-5-4-6-8-15)18-19-9-10-22(18)3/h4-10,12,17H,11H2,1-3H3,(H,21,24)
InChIKeyDORFHOSWXQBBCX-UHFFFAOYSA-N
XLogP2.14
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
CID 17490913
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 17424139
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
2-(3-cyano-1,2,4-triazol-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 42933607
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25334274
2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 46512994
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 24683970
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 55760119
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-naphthalen-1-yloxyacetamide
CID 17446536
3-(azepan-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 125160043
2-(2-ethylbenzimidazol-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 31357913

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide (CID 90647674) is 2-(4,5-dimethylimidazol-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide is Cc1ncn(CC(=O)NC(c2ccccc2)c2nccn2C)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
The InChIKey is DORFHOSWXQBBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-14(2)23(12-20-13)11-16(24)21-17(15-7-5-4-6-8-15)18-19-9-10-22(18)3/h4-10,12,17H,11H2,1-3H3,(H,21,24).
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
2-(4,5-dimethylimidazol-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide is sourced from PubChem (CID 90647674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).