N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine

C14H25ClN4O — CID 79083031

IUPACN-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
SMILESCCCCc1nc(Cl)c(CNCC2CN(C)CCO2)[nH]1
InChIInChI=1S/C14H25ClN4O/c1-3-4-5-13-17-12(14(15)18-13)9-16-8-11-10-19(2)6-7-20-11/h11,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyUTXVWIMSYGBMQP-UHFFFAOYSA-N
MW300.83 g/mol
LogP1.83
Rot. Bonds7

About N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine

N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine (PubChem CID 79083031) has the molecular formula C14H25ClN4O and a molecular weight of 300.83 g/mol. Its IUPAC name is N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
PubChem CID79083031
Molecular FormulaC14H25ClN4O
Molecular Weight300.83 g/mol
Exact Mass300.17
IUPAC NameN-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
SMILESCCCCc1nc(Cl)c(CNCC2CN(C)CCO2)[nH]1
InChIInChI=1S/C14H25ClN4O/c1-3-4-5-13-17-12(14(15)18-13)9-16-8-11-10-19(2)6-7-20-11/h11,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyUTXVWIMSYGBMQP-UHFFFAOYSA-N
XLogP1.83
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine?
The IUPAC name of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine (CID 79083031) is N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine.
What is the SMILES notation for N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine?
The canonical SMILES for N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine is CCCCc1nc(Cl)c(CNCC2CN(C)CCO2)[nH]1.
What is the InChIKey of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine?
The InChIKey is UTXVWIMSYGBMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4O/c1-3-4-5-13-17-12(14(15)18-13)9-16-8-11-10-19(2)6-7-20-11/h11,16H,3-10H2,1-2H3,(H,17,18).
What are the key properties of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine?
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine has a molecular weight of 300.83 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine is sourced from PubChem (CID 79083031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).