1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxybenzimidazol-2-amine

C14H14ClN3OS — CID 106035989

IUPAC1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxybenzimidazol-2-amine
SMILESCOc1ccc2nc(N)n(CCc3ccc(Cl)s3)c2c1
InChIInChI=1S/C14H14ClN3OS/c1-19-9-2-4-11-12(8-9)18(14(16)17-11)7-6-10-3-5-13(15)20-10/h2-5,8H,6-7H2,1H3,(H2,16,17)
InChIKeyDQUYOBZKTXNRCG-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.58
Rot. Bonds4

About 1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxybenzimidazol-2-amine

1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxybenzimidazol-2-amine (PubChem CID 106035989) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxybenzimidazol-2-amine
PubChem CID106035989
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxybenzimidazol-2-amine
SMILESCOc1ccc2nc(N)n(CCc3ccc(Cl)s3)c2c1
InChIInChI=1S/C14H14ClN3OS/c1-19-9-2-4-11-12(8-9)18(14(16)17-11)7-6-10-3-5-13(15)20-10/h2-5,8H,6-7H2,1H3,(H2,16,17)
InChIKeyDQUYOBZKTXNRCG-UHFFFAOYSA-N
XLogP3.58
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-6-methoxybenzimidazol-2-amine
CID 18761807
1-[2-(5-chlorothiophen-2-yl)ethyl]-5-iodobenzimidazol-2-amine
CID 106036111
6-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763122
6-chloro-1-[(5-chlorothiophen-2-yl)methyl]benzimidazol-2-amine
CID 115470651
1-[2-(3-methoxyphenyl)ethyl]-6-methylbenzimidazol-2-amine
CID 107853170
1-(3-cyclopentylpropyl)-6-methoxybenzimidazol-2-amine
CID 106008013
1-[(5-ethylthiophen-2-yl)methyl]-5-methoxybenzimidazol-2-amine
CID 106008088
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 106049337
5-methoxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106406245
3-(2-amino-6-methoxybenzimidazol-1-yl)-2,2-dimethylpropanamide
CID 106278480
6-methoxy-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine
CID 80522196
3-[2-(5-chlorothiophen-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
CID 106036057

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxybenzimidazol-2-amine?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxybenzimidazol-2-amine (CID 106035989) is 1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxybenzimidazol-2-amine.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxybenzimidazol-2-amine?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxybenzimidazol-2-amine is COc1ccc2nc(N)n(CCc3ccc(Cl)s3)c2c1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxybenzimidazol-2-amine?
The InChIKey is DQUYOBZKTXNRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c1-19-9-2-4-11-12(8-9)18(14(16)17-11)7-6-10-3-5-13(15)20-10/h2-5,8H,6-7H2,1H3,(H2,16,17).
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxybenzimidazol-2-amine?
1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxybenzimidazol-2-amine has a molecular weight of 307.81 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxybenzimidazol-2-amine is sourced from PubChem (CID 106035989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).