2-(7-chloro-1-methylbenzimidazol-2-yl)-N-ethylpropan-1-amine

C13H18ClN3 — CID 62853148

IUPAC2-(7-chloro-1-methylbenzimidazol-2-yl)-N-ethylpropan-1-amine
SMILESCCNCC(C)c1nc2cccc(Cl)c2n1C
InChIInChI=1S/C13H18ClN3/c1-4-15-8-9(2)13-16-11-7-5-6-10(14)12(11)17(13)3/h5-7,9,15H,4,8H2,1-3H3
InChIKeyRFSGIVHSSPHJPG-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.94
Rot. Bonds4

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

2-(7-chloro-1-methylbenzimidazol-2-yl)-N-ethylpropan-1-amine (PubChem CID 62853148) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-(7-chloro-1-methylbenzimidazol-2-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-(7-chloro-1-methylbenzimidazol-2-yl)-N-ethylpropan-1-amine
PubChem CID62853148
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name2-(7-chloro-1-methylbenzimidazol-2-yl)-N-ethylpropan-1-amine
SMILESCCNCC(C)c1nc2cccc(Cl)c2n1C
InChIInChI=1S/C13H18ClN3/c1-4-15-8-9(2)13-16-11-7-5-6-10(14)12(11)17(13)3/h5-7,9,15H,4,8H2,1-3H3
InChIKeyRFSGIVHSSPHJPG-UHFFFAOYSA-N
XLogP2.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.94
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-methylbenzimidazol-2-yl)-N-ethylpropan-1-amine?
The IUPAC name of 2-(7-chloro-1-methylbenzimidazol-2-yl)-N-ethylpropan-1-amine (CID 62853148) is 2-(7-chloro-1-methylbenzimidazol-2-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 2-(7-chloro-1-methylbenzimidazol-2-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 2-(7-chloro-1-methylbenzimidazol-2-yl)-N-ethylpropan-1-amine is CCNCC(C)c1nc2cccc(Cl)c2n1C.
What is the InChIKey of 2-(7-chloro-1-methylbenzimidazol-2-yl)-N-ethylpropan-1-amine?
The InChIKey is RFSGIVHSSPHJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-4-15-8-9(2)13-16-11-7-5-6-10(14)12(11)17(13)3/h5-7,9,15H,4,8H2,1-3H3.
What are the key properties of 2-(7-chloro-1-methylbenzimidazol-2-yl)-N-ethylpropan-1-amine?
2-(7-chloro-1-methylbenzimidazol-2-yl)-N-ethylpropan-1-amine has a molecular weight of 251.76 g/mol, XLogP of 2.94, 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-methylbenzimidazol-2-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 62853148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).