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

C20H21N5O2 — CID 101152444

IUPAC2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid
SMILESCn1c(CN(CC(=O)O)Cc2nc3ccccc3n2C)nc2ccccc21
InChIInChI=1S/C20H21N5O2/c1-23-16-9-5-3-7-14(16)21-18(23)11-25(13-20(26)27)12-19-22-15-8-4-6-10-17(15)24(19)2/h3-10H,11-13H2,1-2H3,(H,26,27)
InChIKeyVLIBRTSHQHWFKG-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.55
Rot. Bonds6

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

2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid (PubChem CID 101152444) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid
PubChem CID101152444
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid
SMILESCn1c(CN(CC(=O)O)Cc2nc3ccccc3n2C)nc2ccccc21
InChIInChI=1S/C20H21N5O2/c1-23-16-9-5-3-7-14(16)21-18(23)11-25(13-20(26)27)12-19-22-15-8-4-6-10-17(15)24(19)2/h3-10H,11-13H2,1-2H3,(H,26,27)
InChIKeyVLIBRTSHQHWFKG-UHFFFAOYSA-N
XLogP2.55
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetate
CID 86237797
6-(1-methylbenzimidazol-2-yl)-5-oxohexanoic acid
CID 58580438
4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride
CID 71828515
3-[2-(diethylaminomethyl)benzimidazol-1-yl]propanoic acid
CID 82310964
(E)-N-benzyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine
CID 22114999
2-methoxy-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 56739020
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
2-[[5-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]thiophen-2-yl]methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid
CID 58655620
3-(1-methylbenzimidazol-2-yl)propanoate
CID 7036074
(2S)-2-amino-3-[(1-methylbenzimidazol-2-yl)methyl-sulfamoylamino]propanoic acid
CID 67155047
(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

Frequently Asked Questions

What is the IUPAC name of 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid (CID 101152444) is 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid is Cn1c(CN(CC(=O)O)Cc2nc3ccccc3n2C)nc2ccccc21.
What is the InChIKey of 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid?
The InChIKey is VLIBRTSHQHWFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-23-16-9-5-3-7-14(16)21-18(23)11-25(13-20(26)27)12-19-22-15-8-4-6-10-17(15)24(19)2/h3-10H,11-13H2,1-2H3,(H,26,27).
What are the key properties of 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid?
2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid has a molecular weight of 363.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid is sourced from PubChem (CID 101152444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).