2-(5-chloro-1-methylbenzimidazol-2-yl)-N-ethylethanamine

C12H16ClN3 — CID 62327428

IUPAC2-(5-chloro-1-methylbenzimidazol-2-yl)-N-ethylethanamine
SMILESCCNCCc1nc2cc(Cl)ccc2n1C
InChIInChI=1S/C12H16ClN3/c1-3-14-7-6-12-15-10-8-9(13)4-5-11(10)16(12)2/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyQWUXFQWTNRAWJZ-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.38
Rot. Bonds4

About 2-(5-chloro-1-methylbenzimidazol-2-yl)-N-ethylethanamine

2-(5-chloro-1-methylbenzimidazol-2-yl)-N-ethylethanamine (PubChem CID 62327428) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-(5-chloro-1-methylbenzimidazol-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(5-chloro-1-methylbenzimidazol-2-yl)-N-ethylethanamine
PubChem CID62327428
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name2-(5-chloro-1-methylbenzimidazol-2-yl)-N-ethylethanamine
SMILESCCNCCc1nc2cc(Cl)ccc2n1C
InChIInChI=1S/C12H16ClN3/c1-3-14-7-6-12-15-10-8-9(13)4-5-11(10)16(12)2/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyQWUXFQWTNRAWJZ-UHFFFAOYSA-N
XLogP2.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 71308073
3-(5-chloro-1-methylbenzimidazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 60837982
N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 166408298
(2S)-N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-2-(dimethylamino)-3-methylbutanamide
CID 86779822
N-[2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82334086
N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide
CID 166226192
N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 75425810
2-[[(5-chloro-1-methylbenzimidazol-2-yl)methylamino]methyl]-2-ethylbutanoic acid
CID 122128861
N-[2-(5-ethoxy-1-methylbenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 82334825
3-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]propanoic acid
CID 119912291
5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole
CID 46310360
3-(5-chloro-1-methylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol
CID 79872192

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methylbenzimidazol-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(5-chloro-1-methylbenzimidazol-2-yl)-N-ethylethanamine (CID 62327428) is 2-(5-chloro-1-methylbenzimidazol-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(5-chloro-1-methylbenzimidazol-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(5-chloro-1-methylbenzimidazol-2-yl)-N-ethylethanamine is CCNCCc1nc2cc(Cl)ccc2n1C.
What is the InChIKey of 2-(5-chloro-1-methylbenzimidazol-2-yl)-N-ethylethanamine?
The InChIKey is QWUXFQWTNRAWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-3-14-7-6-12-15-10-8-9(13)4-5-11(10)16(12)2/h4-5,8,14H,3,6-7H2,1-2H3.
What are the key properties of 2-(5-chloro-1-methylbenzimidazol-2-yl)-N-ethylethanamine?
2-(5-chloro-1-methylbenzimidazol-2-yl)-N-ethylethanamine has a molecular weight of 237.73 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-methylbenzimidazol-2-yl)-N-ethylethanamine is sourced from PubChem (CID 62327428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).