(1-ethylbenzimidazol-2-yl)methylazanium chloride

C10H14ClN3 — CID 139581059

IUPAC(1-ethylbenzimidazol-2-yl)methylazanium chloride
SMILESCCn1c(C[NH3+])nc2ccccc21.[Cl-]
InChIInChI=1S/C10H13N3.ClH/c1-2-13-9-6-4-3-5-8(9)12-10(13)7-11;/h3-6H,2,7,11H2,1H3;1H
InChIKeyJVICQHDGYGMVNK-UHFFFAOYSA-N
MW211.70 g/mol
LogP-2.20
Rot. Bonds2

About (1-ethylbenzimidazol-2-yl)methylazanium chloride

(1-ethylbenzimidazol-2-yl)methylazanium chloride (PubChem CID 139581059) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is (1-ethylbenzimidazol-2-yl)methylazanium chloride.

Molecular Properties

Compound Name(1-ethylbenzimidazol-2-yl)methylazanium chloride
PubChem CID139581059
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name(1-ethylbenzimidazol-2-yl)methylazanium chloride
SMILESCCn1c(C[NH3+])nc2ccccc21.[Cl-]
InChIInChI=1S/C10H13N3.ClH/c1-2-13-9-6-4-3-5-8(9)12-10(13)7-11;/h3-6H,2,7,11H2,1H3;1H
InChIKeyJVICQHDGYGMVNK-UHFFFAOYSA-N
XLogP-2.20
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 5-2.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 59065201
CID 59065201
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886
1-ethyl-2-pentylbenzimidazole
CID 3463966
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
2-(1-ethylbenzimidazol-2-yl)acetaldehyde
CID 79753358
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline
CID 102336325
1-(1-ethylbenzimidazol-2-yl)-2,3,3-trimethylbutan-2-ol
CID 115400992
4-[(1-ethylbenzimidazol-2-yl)methyl]phenol
CID 43142753
2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone
CID 79753775

Frequently Asked Questions

What is the IUPAC name of (1-ethylbenzimidazol-2-yl)methylazanium chloride?
The IUPAC name of (1-ethylbenzimidazol-2-yl)methylazanium chloride (CID 139581059) is (1-ethylbenzimidazol-2-yl)methylazanium chloride.
What is the SMILES notation for (1-ethylbenzimidazol-2-yl)methylazanium chloride?
The canonical SMILES for (1-ethylbenzimidazol-2-yl)methylazanium chloride is CCn1c(C[NH3+])nc2ccccc21.[Cl-].
What is the InChIKey of (1-ethylbenzimidazol-2-yl)methylazanium chloride?
The InChIKey is JVICQHDGYGMVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.ClH/c1-2-13-9-6-4-3-5-8(9)12-10(13)7-11;/h3-6H,2,7,11H2,1H3;1H.
What are the key properties of (1-ethylbenzimidazol-2-yl)methylazanium chloride?
(1-ethylbenzimidazol-2-yl)methylazanium chloride has a molecular weight of 211.70 g/mol, XLogP of -2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylbenzimidazol-2-yl)methylazanium chloride is sourced from PubChem (CID 139581059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).