5,6-dichloro-N,N-dimethyl-1H-benzimidazol-2-amine

C9H9Cl2N3 — CID 91621375

IUPAC5,6-dichloro-N,N-dimethyl-1H-benzimidazol-2-amine
SMILESCN(C)c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C9H9Cl2N3/c1-14(2)9-12-7-3-5(10)6(11)4-8(7)13-9/h3-4H,1-2H3,(H,12,13)
InChIKeyFTUCLYJNACZKPY-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.94
Rot. Bonds1

About 5,6-dichloro-N,N-dimethyl-1H-benzimidazol-2-amine

5,6-dichloro-N,N-dimethyl-1H-benzimidazol-2-amine (PubChem CID 91621375) has the molecular formula C9H9Cl2N3 and a molecular weight of 230.10 g/mol. Its IUPAC name is 5,6-dichloro-N,N-dimethyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name5,6-dichloro-N,N-dimethyl-1H-benzimidazol-2-amine
PubChem CID91621375
Molecular FormulaC9H9Cl2N3
Molecular Weight230.10 g/mol
Exact Mass229.02
IUPAC Name5,6-dichloro-N,N-dimethyl-1H-benzimidazol-2-amine
SMILESCN(C)c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C9H9Cl2N3/c1-14(2)9-12-7-3-5(10)6(11)4-8(7)13-9/h3-4H,1-2H3,(H,12,13)
InChIKeyFTUCLYJNACZKPY-UHFFFAOYSA-N
XLogP2.94
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dichloro-2-[(5,6-dichloro-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole
CID 118428722
N,N-dimethyl-1H-benzimidazol-2-amine
CID 17846
5,6-dichloro-2-(2-chloroethyl)-1H-benzimidazole
CID 82004888
5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 39158463
(5,6-dichloro-1H-benzimidazol-2-yl)methanethiol
CID 102056508
5,6-dichloro-2-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole
CID 82005586
2-(5,6-dichloro-1H-benzimidazol-2-yl)propanethioic S-acid
CID 154178831
6-chloro-5-iodo-2-methyl-1H-benzimidazole
CID 152925781
5,6-dichloro-1H-benzimidazole-2-sulfonic acid
CID 10038589
5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
CID 4915231
5,6-dichloro-2-(3,5-difluorophenyl)-1H-benzimidazole
CID 82005304
5,6-dichloro-2-(3-ethoxypropyl)-1H-benzimidazole
CID 82003888

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N,N-dimethyl-1H-benzimidazol-2-amine?
The IUPAC name of 5,6-dichloro-N,N-dimethyl-1H-benzimidazol-2-amine (CID 91621375) is 5,6-dichloro-N,N-dimethyl-1H-benzimidazol-2-amine.
What is the SMILES notation for 5,6-dichloro-N,N-dimethyl-1H-benzimidazol-2-amine?
The canonical SMILES for 5,6-dichloro-N,N-dimethyl-1H-benzimidazol-2-amine is CN(C)c1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 5,6-dichloro-N,N-dimethyl-1H-benzimidazol-2-amine?
The InChIKey is FTUCLYJNACZKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3/c1-14(2)9-12-7-3-5(10)6(11)4-8(7)13-9/h3-4H,1-2H3,(H,12,13).
What are the key properties of 5,6-dichloro-N,N-dimethyl-1H-benzimidazol-2-amine?
5,6-dichloro-N,N-dimethyl-1H-benzimidazol-2-amine has a molecular weight of 230.10 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N,N-dimethyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 91621375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).