2-[1-(3,5-dichloro-2-pyridinyl)benzimidazol-2-yl]ethanamine

C14H12Cl2N4 — CID 63637547

IUPAC2-[1-(3,5-dichloro-2-pyridinyl)benzimidazol-2-yl]ethanamine
SMILESNCCc1nc2ccccc2n1-c1ncc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N4/c15-9-7-10(16)14(18-8-9)20-12-4-2-1-3-11(12)19-13(20)5-6-17/h1-4,7-8H,5-6,17H2
InChIKeyIRJKEXXXRCQZQP-UHFFFAOYSA-N
MW307.18 g/mol
LogP3.23
Rot. Bonds3

About 2-[1-(3,5-dichloro-2-pyridinyl)benzimidazol-2-yl]ethanamine

2-[1-(3,5-dichloro-2-pyridinyl)benzimidazol-2-yl]ethanamine (PubChem CID 63637547) has the molecular formula C14H12Cl2N4 and a molecular weight of 307.18 g/mol. Its IUPAC name is 2-[1-(3,5-dichloro-2-pyridinyl)benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3,5-dichloro-2-pyridinyl)benzimidazol-2-yl]ethanamine
PubChem CID63637547
Molecular FormulaC14H12Cl2N4
Molecular Weight307.18 g/mol
Exact Mass306.04
IUPAC Name2-[1-(3,5-dichloro-2-pyridinyl)benzimidazol-2-yl]ethanamine
SMILESNCCc1nc2ccccc2n1-c1ncc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N4/c15-9-7-10(16)14(18-8-9)20-12-4-2-1-3-11(12)19-13(20)5-6-17/h1-4,7-8H,5-6,17H2
InChIKeyIRJKEXXXRCQZQP-UHFFFAOYSA-N
XLogP3.23
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]ethanamine
CID 105370562
2-[1-(2-chlorophenyl)benzimidazol-2-yl]ethanamine
CID 96668272
2-[1-(5-iodopyrimidin-4-yl)benzimidazol-2-yl]ethanamine
CID 66320697
2-(2-chloroethyl)-1-(2,5-dichlorophenyl)benzimidazole
CID 43666804
2-[1-(2,5-dimethylphenyl)benzimidazol-2-yl]ethanamine
CID 82486748
1-(3,5-dichloro-2-pyridinyl)benzotriazole
CID 4825894
5-chloro-3-[(1-methylbenzimidazol-2-yl)methyl]pyridin-2-amine
CID 79750643
5-[2-(2-aminoethyl)benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 154591707
1-(3,5-dichloro-2-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79783281
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine
CID 55244547
[5-chloro-2-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methanamine
CID 79754308

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dichloro-2-pyridinyl)benzimidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-(3,5-dichloro-2-pyridinyl)benzimidazol-2-yl]ethanamine (CID 63637547) is 2-[1-(3,5-dichloro-2-pyridinyl)benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(3,5-dichloro-2-pyridinyl)benzimidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(3,5-dichloro-2-pyridinyl)benzimidazol-2-yl]ethanamine is NCCc1nc2ccccc2n1-c1ncc(Cl)cc1Cl.
What is the InChIKey of 2-[1-(3,5-dichloro-2-pyridinyl)benzimidazol-2-yl]ethanamine?
The InChIKey is IRJKEXXXRCQZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4/c15-9-7-10(16)14(18-8-9)20-12-4-2-1-3-11(12)19-13(20)5-6-17/h1-4,7-8H,5-6,17H2.
What are the key properties of 2-[1-(3,5-dichloro-2-pyridinyl)benzimidazol-2-yl]ethanamine?
2-[1-(3,5-dichloro-2-pyridinyl)benzimidazol-2-yl]ethanamine has a molecular weight of 307.18 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dichloro-2-pyridinyl)benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 63637547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).