N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-propan-2-ylaniline

C14H19N3O — CID 24947139

IUPACN-(1H-imidazol-5-ylmethyl)-3-methoxy-N-propan-2-ylaniline
SMILESCOc1cccc(N(Cc2cnc[nH]2)C(C)C)c1
InChIInChI=1S/C14H19N3O/c1-11(2)17(9-12-8-15-10-16-12)13-5-4-6-14(7-13)18-3/h4-8,10-11H,9H2,1-3H3,(H,15,16)
InChIKeyDCFNZAPUZDWYSA-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.83
Rot. Bonds5

About N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-propan-2-ylaniline

N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-propan-2-ylaniline (PubChem CID 24947139) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-propan-2-ylaniline.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-3-methoxy-N-propan-2-ylaniline
PubChem CID24947139
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-(1H-imidazol-5-ylmethyl)-3-methoxy-N-propan-2-ylaniline
SMILESCOc1cccc(N(Cc2cnc[nH]2)C(C)C)c1
InChIInChI=1S/C14H19N3O/c1-11(2)17(9-12-8-15-10-16-12)13-5-4-6-14(7-13)18-3/h4-8,10-11H,9H2,1-3H3,(H,15,16)
InChIKeyDCFNZAPUZDWYSA-UHFFFAOYSA-N
XLogP2.83
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-1H-benzimidazole
CID 78598
4-(4-methoxyphenyl)-1H-imidazole
CID 3792851
1-(3-Imidazol-1-ylpropyl)-3-(4-methoxyphenyl)thiourea
CID 2917732
1-(3,5-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea
CID 6539192
1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]urea
CID 6539194
1-(3,4-Dimethoxyphenyl)-3-[3-(1h-Imidazol-1-Yl)propyl]thiourea
CID 6539196
1-(3,4-dimethoxyphenyl)-3-[4-(1H-imidazol-1-yl)butyl]thiourea
CID 6539198
3-(1H-Imidazol-4-yl)propyl 4-methoxyphenyl ether
CID 10681081
4-(3-Phenoxy-propyl)-1H-imidazole with (0.95M)oxalic acid
CID 10774476
1-[4-[4-(Dimethylamino)butoxy]-3-methoxyphenyl]-3-[3-(5-methylimidazol-1-yl)propyl]-1-(1-methylpiperidin-4-yl)urea
CID 166631429
6-methoxy-2-pyridin-2-yl-1H-benzimidazole
CID 186762
5-(4-Butoxy-phenyl)-1H-imidazole
CID 11275964

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-propan-2-ylaniline?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-propan-2-ylaniline (CID 24947139) is N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-propan-2-ylaniline.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-propan-2-ylaniline?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-propan-2-ylaniline is COc1cccc(N(Cc2cnc[nH]2)C(C)C)c1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-propan-2-ylaniline?
The InChIKey is DCFNZAPUZDWYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(2)17(9-12-8-15-10-16-12)13-5-4-6-14(7-13)18-3/h4-8,10-11H,9H2,1-3H3,(H,15,16).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-propan-2-ylaniline?
N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-propan-2-ylaniline has a molecular weight of 245.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-propan-2-ylaniline is sourced from PubChem (CID 24947139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).