1-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-N-ethylpropan-2-amine

C15H20ClN3 — CID 62827796

IUPAC1-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1nc2cc(Cl)ccc2n1C1CC1
InChIInChI=1S/C15H20ClN3/c1-3-17-10(2)8-15-18-13-9-11(16)4-7-14(13)19(15)12-5-6-12/h4,7,9-10,12,17H,3,5-6,8H2,1-2H3
InChIKeyODGFYVWDQXVQNR-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.57
Rot. Bonds5

About 1-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-N-ethylpropan-2-amine

1-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-N-ethylpropan-2-amine (PubChem CID 62827796) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-N-ethylpropan-2-amine
PubChem CID62827796
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name1-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1nc2cc(Cl)ccc2n1C1CC1
InChIInChI=1S/C15H20ClN3/c1-3-17-10(2)8-15-18-13-9-11(16)4-7-14(13)19(15)12-5-6-12/h4,7,9-10,12,17H,3,5-6,8H2,1-2H3
InChIKeyODGFYVWDQXVQNR-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-N-ethylpropan-2-amine (CID 62827796) is 1-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-N-ethylpropan-2-amine is CCNC(C)Cc1nc2cc(Cl)ccc2n1C1CC1.
What is the InChIKey of 1-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-N-ethylpropan-2-amine?
The InChIKey is ODGFYVWDQXVQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-3-17-10(2)8-15-18-13-9-11(16)4-7-14(13)19(15)12-5-6-12/h4,7,9-10,12,17H,3,5-6,8H2,1-2H3.
What are the key properties of 1-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-N-ethylpropan-2-amine?
1-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-N-ethylpropan-2-amine has a molecular weight of 277.80 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-N-ethylpropan-2-amine is sourced from PubChem (CID 62827796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).