N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide

C27H30N4O2 — CID 42827233

IUPACN-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC2CC2)C(=O)C2CC2)cc1C
InChIInChI=1S/C27H30N4O2/c1-18-8-13-23(14-19(18)2)31-16-24(21-6-4-3-5-7-21)28-27(31)29-25(32)17-30(15-20-9-10-20)26(33)22-11-12-22/h3-8,13-14,16,20,22H,9-12,15,17H2,1-2H3,(H,28,29,32)
InChIKeyWXBSDACZSJNASV-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.74
Rot. Bonds8

About N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide

N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 42827233) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
PubChem CID42827233
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC NameN-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC2CC2)C(=O)C2CC2)cc1C
InChIInChI=1S/C27H30N4O2/c1-18-8-13-23(14-19(18)2)31-16-24(21-6-4-3-5-7-21)28-27(31)29-25(32)17-30(15-20-9-10-20)26(33)22-11-12-22/h3-8,13-14,16,20,22H,9-12,15,17H2,1-2H3,(H,28,29,32)
InChIKeyWXBSDACZSJNASV-UHFFFAOYSA-N
XLogP4.74
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 42826520
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide
CID 42830515
N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide
CID 46145071
N-(2-methoxyethyl)-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 42827262
2,4-dichloro-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 42827225
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 46144641
2-[tert-butylcarbamoyl(2-methylpropyl)amino]-N-[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]acetamide
CID 42827339
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98438256
2-chloro-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98405670
N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 42827205
N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide
CID 42830543
N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide
CID 42830547

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide (CID 42827233) is N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide is Cc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC2CC2)C(=O)C2CC2)cc1C.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is WXBSDACZSJNASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-18-8-13-23(14-19(18)2)31-16-24(21-6-4-3-5-7-21)28-27(31)29-25(32)17-30(15-20-9-10-20)26(33)22-11-12-22/h3-8,13-14,16,20,22H,9-12,15,17H2,1-2H3,(H,28,29,32).
What are the key properties of N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide?
N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 442.56 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 42827233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).