6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid

C14H12ClN5O2 — CID 134703059

IUPAC6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid
SMILESCN(Cc1nc2ccc(Cl)cc2[nH]1)c1cncc(C(=O)O)n1
InChIInChI=1S/C14H12ClN5O2/c1-20(13-6-16-5-11(19-13)14(21)22)7-12-17-9-3-2-8(15)4-10(9)18-12/h2-6H,7H2,1H3,(H,17,18)(H,21,22)
InChIKeyRWIKRWDHYKNWKH-UHFFFAOYSA-N
MW317.74 g/mol
LogP2.34
Rot. Bonds4

About 6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid

6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid (PubChem CID 134703059) has the molecular formula C14H12ClN5O2 and a molecular weight of 317.74 g/mol. Its IUPAC name is 6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid
PubChem CID134703059
Molecular FormulaC14H12ClN5O2
Molecular Weight317.74 g/mol
Exact Mass317.07
IUPAC Name6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid
SMILESCN(Cc1nc2ccc(Cl)cc2[nH]1)c1cncc(C(=O)O)n1
InChIInChI=1S/C14H12ClN5O2/c1-20(13-6-16-5-11(19-13)14(21)22)7-12-17-9-3-2-8(15)4-10(9)18-12/h2-6H,7H2,1H3,(H,17,18)(H,21,22)
InChIKeyRWIKRWDHYKNWKH-UHFFFAOYSA-N
XLogP2.34
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate
CID 57361833
3-[2-amino-6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91771582
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide
CID 131946800
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 82335889
2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
CID 64725128
1-(azepan-1-yl)-2-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]ethanone
CID 134696462
(3S)-1-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95220506
4-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126431641
6-[methyl(thiophen-2-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 66456809
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylacetamide
CID 124752699
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 125174045
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,6-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176505372

Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid (CID 134703059) is 6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid is CN(Cc1nc2ccc(Cl)cc2[nH]1)c1cncc(C(=O)O)n1.
What is the InChIKey of 6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid?
The InChIKey is RWIKRWDHYKNWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O2/c1-20(13-6-16-5-11(19-13)14(21)22)7-12-17-9-3-2-8(15)4-10(9)18-12/h2-6H,7H2,1H3,(H,17,18)(H,21,22).
What are the key properties of 6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid?
6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid has a molecular weight of 317.74 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 134703059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).