N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine

C15H22ClN3O2 — CID 78899266

IUPACN-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(CCOC)Cc1nc2cc(Cl)ccc2n1C
InChIInChI=1S/C15H22ClN3O2/c1-18-14-5-4-12(16)10-13(14)17-15(18)11-19(6-8-20-2)7-9-21-3/h4-5,10H,6-9,11H2,1-3H3
InChIKeyBJQIVSLTDDJEPC-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.32
Rot. Bonds8

About N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine

N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine (PubChem CID 78899266) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
PubChem CID78899266
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(CCOC)Cc1nc2cc(Cl)ccc2n1C
InChIInChI=1S/C15H22ClN3O2/c1-18-14-5-4-12(16)10-13(14)17-15(18)11-19(6-8-20-2)7-9-21-3/h4-5,10H,6-9,11H2,1-3H3
InChIKeyBJQIVSLTDDJEPC-UHFFFAOYSA-N
XLogP2.32
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine?
The IUPAC name of N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine (CID 78899266) is N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine is COCCN(CCOC)Cc1nc2cc(Cl)ccc2n1C.
What is the InChIKey of N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine?
The InChIKey is BJQIVSLTDDJEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-18-14-5-4-12(16)10-13(14)17-15(18)11-19(6-8-20-2)7-9-21-3/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine?
N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine has a molecular weight of 311.81 g/mol, XLogP of 2.32, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 78899266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).