1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine

C16H21ClN4O — CID 168628931

IUPAC1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCCCCCOc1ccc(C=Nn2cc(C)nc2N)cc1Cl
InChIInChI=1S/C16H21ClN4O/c1-3-4-5-8-22-15-7-6-13(9-14(15)17)10-19-21-11-12(2)20-16(21)18/h6-7,9-11H,3-5,8H2,1-2H3,(H2,18,20)
InChIKeyRDBGMHUNNDHRBW-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.88
Rot. Bonds7

About 1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine

1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168628931) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168628931
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCCCCCOc1ccc(C=Nn2cc(C)nc2N)cc1Cl
InChIInChI=1S/C16H21ClN4O/c1-3-4-5-8-22-15-7-6-13(9-14(15)17)10-19-21-11-12(2)20-16(21)18/h6-7,9-11H,3-5,8H2,1-2H3,(H2,18,20)
InChIKeyRDBGMHUNNDHRBW-UHFFFAOYSA-N
XLogP3.88
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628935
4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628762
1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628979
4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628888
1-[(3,4-difluoro-5-hexoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628950
1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628669
1-[(5-chloro-2-propoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628889
1-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630181
1-[(3-butylsulfanylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628982
1-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630451
1-[[3-ethoxy-4-(2-imidazol-1-ylethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630138
1-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628835

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168628931) is 1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is CCCCCOc1ccc(C=Nn2cc(C)nc2N)cc1Cl.
What is the InChIKey of 1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is RDBGMHUNNDHRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O/c1-3-4-5-8-22-15-7-6-13(9-14(15)17)10-19-21-11-12(2)20-16(21)18/h6-7,9-11H,3-5,8H2,1-2H3,(H2,18,20).
What are the key properties of 1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 320.82 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168628931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).