N-cyclopropyl-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylbutanamide

C20H27N3O2 — CID 42819247

IUPACN-cyclopropyl-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylbutanamide
SMILESCOc1ccc(Cn2ccnc2CN(C(=O)CC(C)C)C2CC2)cc1
InChIInChI=1S/C20H27N3O2/c1-15(2)12-20(24)23(17-6-7-17)14-19-21-10-11-22(19)13-16-4-8-18(25-3)9-5-16/h4-5,8-11,15,17H,6-7,12-14H2,1-3H3
InChIKeyKLIMNBOMWJMWTO-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.48
Rot. Bonds8

About N-cyclopropyl-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylbutanamide

N-cyclopropyl-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylbutanamide (PubChem CID 42819247) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-cyclopropyl-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylbutanamide
PubChem CID42819247
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-cyclopropyl-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylbutanamide
SMILESCOc1ccc(Cn2ccnc2CN(C(=O)CC(C)C)C2CC2)cc1
InChIInChI=1S/C20H27N3O2/c1-15(2)12-20(24)23(17-6-7-17)14-19-21-10-11-22(19)13-16-4-8-18(25-3)9-5-16/h4-5,8-11,15,17H,6-7,12-14H2,1-3H3
InChIKeyKLIMNBOMWJMWTO-UHFFFAOYSA-N
XLogP3.48
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]butanamide
CID 42819555
N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 42819265
3-ethyl-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-methylurea
CID 42819635
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 40607572
N-cyclopropyl-4-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42820527
4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide
CID 42819222
N-cyclopropyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide
CID 42819347
N-(2-methylpropyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide
CID 42820515
[4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82557940
N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 42819353
4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylbenzamide
CID 42819277
2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 134052775

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylbutanamide?
The IUPAC name of N-cyclopropyl-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylbutanamide (CID 42819247) is N-cyclopropyl-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylbutanamide.
What is the SMILES notation for N-cyclopropyl-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylbutanamide?
The canonical SMILES for N-cyclopropyl-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylbutanamide is COc1ccc(Cn2ccnc2CN(C(=O)CC(C)C)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylbutanamide?
The InChIKey is KLIMNBOMWJMWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15(2)12-20(24)23(17-6-7-17)14-19-21-10-11-22(19)13-16-4-8-18(25-3)9-5-16/h4-5,8-11,15,17H,6-7,12-14H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylbutanamide?
N-cyclopropyl-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylbutanamide has a molecular weight of 341.46 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylbutanamide is sourced from PubChem (CID 42819247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).