methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate

C18H19N3O2 — CID 99613603

IUPACmethyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate
SMILESCOC(=O)CN[C@H](c1ccccc1)c1nc2ccccc2n1C
InChIInChI=1S/C18H19N3O2/c1-21-15-11-7-6-10-14(15)20-18(21)17(19-12-16(22)23-2)13-8-4-3-5-9-13/h3-11,17,19H,12H2,1-2H3/t17-/m1/s1
InChIKeyISBOOENGUHHGBB-QGZVFWFLSA-N
MW309.37 g/mol
LogP2.43
Rot. Bonds5

About methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate

methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate (PubChem CID 99613603) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate
PubChem CID99613603
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Namemethyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate
SMILESCOC(=O)CN[C@H](c1ccccc1)c1nc2ccccc2n1C
InChIInChI=1S/C18H19N3O2/c1-21-15-11-7-6-10-14(15)20-18(21)17(19-12-16(22)23-2)13-8-4-3-5-9-13/h3-11,17,19H,12H2,1-2H3/t17-/m1/s1
InChIKeyISBOOENGUHHGBB-QGZVFWFLSA-N
XLogP2.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea
CID 86816785
N-methyl-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 3009976
2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride
CID 119863897
(1R)-N-(furan-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 95567515
3-[[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]methyl]phenol
CID 95567517
tert-butyl 2-[1-(1-methylbenzimidazol-2-yl)ethylamino]acetate
CID 81455314
N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 122139558
2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide
CID 52535851
7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide
CID 119863894
(1R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 99613009
3,4,5-triethoxy-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]benzamide
CID 60588886
(2R)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]propanamide
CID 96535378

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate?
The IUPAC name of methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate (CID 99613603) is methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate?
The canonical SMILES for methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate is COC(=O)CN[C@H](c1ccccc1)c1nc2ccccc2n1C.
What is the InChIKey of methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate?
The InChIKey is ISBOOENGUHHGBB-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-21-15-11-7-6-10-14(15)20-18(21)17(19-12-16(22)23-2)13-8-4-3-5-9-13/h3-11,17,19H,12H2,1-2H3/t17-/m1/s1.
What are the key properties of methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate?
methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate has a molecular weight of 309.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate is sourced from PubChem (CID 99613603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).