N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine

C17H20ClN3O2 — CID 60509766

IUPACN-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine
SMILESCOCCN(Cc1ccco1)Cc1nc2cc(Cl)ccc2n1C
InChIInChI=1S/C17H20ClN3O2/c1-20-16-6-5-13(18)10-15(16)19-17(20)12-21(7-9-22-2)11-14-4-3-8-23-14/h3-6,8,10H,7,9,11-12H2,1-2H3
InChIKeyCRGSQJIOBQYRIP-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.47
Rot. Bonds7

About N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine

N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine (PubChem CID 60509766) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine
PubChem CID60509766
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine
SMILESCOCCN(Cc1ccco1)Cc1nc2cc(Cl)ccc2n1C
InChIInChI=1S/C17H20ClN3O2/c1-20-16-6-5-13(18)10-15(16)19-17(20)12-21(7-9-22-2)11-14-4-3-8-23-14/h3-6,8,10H,7,9,11-12H2,1-2H3
InChIKeyCRGSQJIOBQYRIP-UHFFFAOYSA-N
XLogP3.47
TPSA43.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.47
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]-N-(furan-2-ylmethyl)-2-methoxyethanamine?
The IUPAC name of N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine (CID 60509766) is N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine.
What is the SMILES notation for N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine?
The canonical SMILES for N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine is COCCN(Cc1ccco1)Cc1nc2cc(Cl)ccc2n1C.
What is the InChIKey of N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine?
The InChIKey is CRGSQJIOBQYRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-20-16-6-5-13(18)10-15(16)19-17(20)12-21(7-9-22-2)11-14-4-3-8-23-14/h3-6,8,10H,7,9,11-12H2,1-2H3.
What are the key properties of N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine?
N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine has a molecular weight of 333.82 g/mol, XLogP of 3.47, 7 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]-N-(furan-2-ylmethyl)-2-methoxyethanamine is sourced from PubChem (CID 60509766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).