2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-(2-methoxyethyl)amino]ethanol

C14H20ClN3O2 — CID 111436362

IUPAC2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)Cc1nc2cc(Cl)ccc2n1C
InChIInChI=1S/C14H20ClN3O2/c1-17-13-4-3-11(15)9-12(13)16-14(17)10-18(5-7-19)6-8-20-2/h3-4,9,19H,5-8,10H2,1-2H3
InChIKeyPJVBHFSHCWVIRF-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.67
Rot. Bonds7

About 2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-(2-methoxyethyl)amino]ethanol

2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-(2-methoxyethyl)amino]ethanol (PubChem CID 111436362) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-(2-methoxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-(2-methoxyethyl)amino]ethanol
PubChem CID111436362
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)Cc1nc2cc(Cl)ccc2n1C
InChIInChI=1S/C14H20ClN3O2/c1-17-13-4-3-11(15)9-12(13)16-14(17)10-18(5-7-19)6-8-20-2/h3-4,9,19H,5-8,10H2,1-2H3
InChIKeyPJVBHFSHCWVIRF-UHFFFAOYSA-N
XLogP1.67
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 78899266
N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine
CID 60509766
3-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]propanoic acid
CID 119912291
3-[5-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-ol
CID 46308571
2-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol
CID 111436382
2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]acetic acid
CID 119906378
2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 71308073
2-[(6-chloro-2-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol
CID 115665477
3-(5-chloro-1-methylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol
CID 79872192
5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole
CID 46310360
2-[2-methoxyethyl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]ethanol
CID 111103195
5-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole
CID 46310357

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-(2-methoxyethyl)amino]ethanol?
The IUPAC name of 2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-(2-methoxyethyl)amino]ethanol (CID 111436362) is 2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-(2-methoxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-(2-methoxyethyl)amino]ethanol?
The canonical SMILES for 2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-(2-methoxyethyl)amino]ethanol is COCCN(CCO)Cc1nc2cc(Cl)ccc2n1C.
What is the InChIKey of 2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-(2-methoxyethyl)amino]ethanol?
The InChIKey is PJVBHFSHCWVIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-17-13-4-3-11(15)9-12(13)16-14(17)10-18(5-7-19)6-8-20-2/h3-4,9,19H,5-8,10H2,1-2H3.
What are the key properties of 2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-(2-methoxyethyl)amino]ethanol?
2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-(2-methoxyethyl)amino]ethanol has a molecular weight of 297.79 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-(2-methoxyethyl)amino]ethanol is sourced from PubChem (CID 111436362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).