2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-1-amine

C15H22ClN3 — CID 55123252

IUPAC2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-1-amine
SMILESCCNCC(C)c1nc2cccc(Cl)c2n1C(C)C
InChIInChI=1S/C15H22ClN3/c1-5-17-9-11(4)15-18-13-8-6-7-12(16)14(13)19(15)10(2)3/h6-8,10-11,17H,5,9H2,1-4H3
InChIKeyIRFSSHJPCXCMFL-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.98
Rot. Bonds5

About 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-1-amine

2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-1-amine (PubChem CID 55123252) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-1-amine
PubChem CID55123252
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-1-amine
SMILESCCNCC(C)c1nc2cccc(Cl)c2n1C(C)C
InChIInChI=1S/C15H22ClN3/c1-5-17-9-11(4)15-18-13-8-6-7-12(16)14(13)19(15)10(2)3/h6-8,10-11,17H,5,9H2,1-4H3
InChIKeyIRFSSHJPCXCMFL-UHFFFAOYSA-N
XLogP3.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.98
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-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-1-amine?
The IUPAC name of 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-1-amine (CID 55123252) is 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-1-amine is CCNCC(C)c1nc2cccc(Cl)c2n1C(C)C.
What is the InChIKey of 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-1-amine?
The InChIKey is IRFSSHJPCXCMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-5-17-9-11(4)15-18-13-8-6-7-12(16)14(13)19(15)10(2)3/h6-8,10-11,17H,5,9H2,1-4H3.
What are the key properties of 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-1-amine?
2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-1-amine has a molecular weight of 279.81 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 55123252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).