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

C21H23N5O2 — CID 86237797

IUPACmethyl 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetate
SMILESCOC(=O)CN(Cc1nc2ccccc2n1C)Cc1nc2ccccc2n1C
InChIInChI=1S/C21H23N5O2/c1-24-17-10-6-4-8-15(17)22-19(24)12-26(14-21(27)28-3)13-20-23-16-9-5-7-11-18(16)25(20)2/h4-11H,12-14H2,1-3H3
InChIKeyVCIRHDYYFWZCJF-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.64
Rot. Bonds6

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

methyl 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetate (PubChem CID 86237797) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is methyl 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetate
PubChem CID86237797
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Namemethyl 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetate
SMILESCOC(=O)CN(Cc1nc2ccccc2n1C)Cc1nc2ccccc2n1C
InChIInChI=1S/C21H23N5O2/c1-24-17-10-6-4-8-15(17)22-19(24)12-26(14-21(27)28-3)13-20-23-16-9-5-7-11-18(16)25(20)2/h4-11H,12-14H2,1-3H3
InChIKeyVCIRHDYYFWZCJF-UHFFFAOYSA-N
XLogP2.64
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid
CID 101152444
methyl 2-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]acetate
CID 75518351
2-methoxy-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 56739020
methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 79754349
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-propan-2-yloxypropanamide
CID 56787204
bis(N,N-dimethylformamide);manganese(2+);1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;2-methylprop-2-enoate;perchlorate
CID 139079745
3-(1-methylbenzimidazol-2-yl)propanoate
CID 7036074
(2S)-N-benzyl-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]propanamide
CID 97064350
1-(1-methylbenzimidazol-2-yl)-3-(2-methylphenyl)propan-2-one
CID 79755659
2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide
CID 18158832
methyl 3-(N-(1-methylbenzimidazol-2-yl)anilino)propanoate
CID 4587225

Frequently Asked Questions

What is the IUPAC name of methyl 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetate?
The IUPAC name of methyl 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetate (CID 86237797) is methyl 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetate is COC(=O)CN(Cc1nc2ccccc2n1C)Cc1nc2ccccc2n1C.
What is the InChIKey of methyl 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetate?
The InChIKey is VCIRHDYYFWZCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-24-17-10-6-4-8-15(17)22-19(24)12-26(14-21(27)28-3)13-20-23-16-9-5-7-11-18(16)25(20)2/h4-11H,12-14H2,1-3H3.
What are the key properties of methyl 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetate?
methyl 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetate has a molecular weight of 377.45 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetate is sourced from PubChem (CID 86237797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).