2-[4-(5-chloro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine

C13H14ClN5 — CID 107495792

IUPAC2-[4-(5-chloro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine
SMILESCn1c(-c2cn(CCN)cn2)nc2cc(Cl)ccc21
InChIInChI=1S/C13H14ClN5/c1-18-12-3-2-9(14)6-10(12)17-13(18)11-7-19(5-4-15)8-16-11/h2-3,6-8H,4-5,15H2,1H3
InChIKeyWBNJUSZNMXXINI-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.05
Rot. Bonds3

About 2-[4-(5-chloro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine

2-[4-(5-chloro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine (PubChem CID 107495792) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-[4-(5-chloro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-chloro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine
PubChem CID107495792
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC Name2-[4-(5-chloro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine
SMILESCn1c(-c2cn(CCN)cn2)nc2cc(Cl)ccc21
InChIInChI=1S/C13H14ClN5/c1-18-12-3-2-9(14)6-10(12)17-13(18)11-7-19(5-4-15)8-16-11/h2-3,6-8H,4-5,15H2,1H3
InChIKeyWBNJUSZNMXXINI-UHFFFAOYSA-N
XLogP2.05
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-fluoro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine
CID 107495782
4-(5-chloro-1-methylbenzimidazol-2-yl)-1,3-thiazole
CID 155566045
5-(5-chloro-1-methylbenzimidazol-2-yl)-1H-1,2,4-triazol-3-amine
CID 62807862
5-chloro-2-(5-chloro-1-methylbenzimidazol-2-yl)aniline
CID 60785031
2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 71308073
2-[4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496326
2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)imidazol-1-yl]ethanamine
CID 107498632
[1-(5-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine
CID 115450556
5-chloro-2-(3-fluorophenyl)-1-methylbenzimidazole
CID 47272714
5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole
CID 10966745
2-[4-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496103
2-[4-(4-methyl-1,3-benzoxazol-2-yl)imidazol-1-yl]ethanamine
CID 107496504

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(5-chloro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine (CID 107495792) is 2-[4-(5-chloro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(5-chloro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(5-chloro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine is Cn1c(-c2cn(CCN)cn2)nc2cc(Cl)ccc21.
What is the InChIKey of 2-[4-(5-chloro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine?
The InChIKey is WBNJUSZNMXXINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c1-18-12-3-2-9(14)6-10(12)17-13(18)11-7-19(5-4-15)8-16-11/h2-3,6-8H,4-5,15H2,1H3.
What are the key properties of 2-[4-(5-chloro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine?
2-[4-(5-chloro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine has a molecular weight of 275.74 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine is sourced from PubChem (CID 107495792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).