2-(7-chloro-1-ethylbenzimidazol-2-yl)-3-methylbutan-1-amine

C14H20ClN3 — CID 65220925

IUPAC2-(7-chloro-1-ethylbenzimidazol-2-yl)-3-methylbutan-1-amine
SMILESCCn1c(C(CN)C(C)C)nc2cccc(Cl)c21
InChIInChI=1S/C14H20ClN3/c1-4-18-13-11(15)6-5-7-12(13)17-14(18)10(8-16)9(2)3/h5-7,9-10H,4,8,16H2,1-3H3
InChIKeyOTQUKLFGMQKMKU-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.41
Rot. Bonds4

About 2-(7-chloro-1-ethylbenzimidazol-2-yl)-3-methylbutan-1-amine

2-(7-chloro-1-ethylbenzimidazol-2-yl)-3-methylbutan-1-amine (PubChem CID 65220925) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 2-(7-chloro-1-ethylbenzimidazol-2-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(7-chloro-1-ethylbenzimidazol-2-yl)-3-methylbutan-1-amine
PubChem CID65220925
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name2-(7-chloro-1-ethylbenzimidazol-2-yl)-3-methylbutan-1-amine
SMILESCCn1c(C(CN)C(C)C)nc2cccc(Cl)c21
InChIInChI=1S/C14H20ClN3/c1-4-18-13-11(15)6-5-7-12(13)17-14(18)10(8-16)9(2)3/h5-7,9-10H,4,8,16H2,1-3H3
InChIKeyOTQUKLFGMQKMKU-UHFFFAOYSA-N
XLogP3.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-ethylbenzimidazol-2-yl)-3-methylbutan-1-amine?
The IUPAC name of 2-(7-chloro-1-ethylbenzimidazol-2-yl)-3-methylbutan-1-amine (CID 65220925) is 2-(7-chloro-1-ethylbenzimidazol-2-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(7-chloro-1-ethylbenzimidazol-2-yl)-3-methylbutan-1-amine?
The canonical SMILES for 2-(7-chloro-1-ethylbenzimidazol-2-yl)-3-methylbutan-1-amine is CCn1c(C(CN)C(C)C)nc2cccc(Cl)c21.
What is the InChIKey of 2-(7-chloro-1-ethylbenzimidazol-2-yl)-3-methylbutan-1-amine?
The InChIKey is OTQUKLFGMQKMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-4-18-13-11(15)6-5-7-12(13)17-14(18)10(8-16)9(2)3/h5-7,9-10H,4,8,16H2,1-3H3.
What are the key properties of 2-(7-chloro-1-ethylbenzimidazol-2-yl)-3-methylbutan-1-amine?
2-(7-chloro-1-ethylbenzimidazol-2-yl)-3-methylbutan-1-amine has a molecular weight of 265.79 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-ethylbenzimidazol-2-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 65220925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).