3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)pentan-3-amine

C15H20ClN3 — CID 79803543

IUPAC3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)pentan-3-amine
SMILESCCC(N)(CC)c1nc2cccc(Cl)c2n1C1CC1
InChIInChI=1S/C15H20ClN3/c1-3-15(17,4-2)14-18-12-7-5-6-11(16)13(12)19(14)10-8-9-10/h5-7,10H,3-4,8-9,17H2,1-2H3
InChIKeyFQWWVPPYZGRZHL-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.00
Rot. Bonds4

About 3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)pentan-3-amine

3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)pentan-3-amine (PubChem CID 79803543) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)pentan-3-amine.

Molecular Properties

Compound Name3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)pentan-3-amine
PubChem CID79803543
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)pentan-3-amine
SMILESCCC(N)(CC)c1nc2cccc(Cl)c2n1C1CC1
InChIInChI=1S/C15H20ClN3/c1-3-15(17,4-2)14-18-12-7-5-6-11(16)13(12)19(14)10-8-9-10/h5-7,10H,3-4,8-9,17H2,1-2H3
InChIKeyFQWWVPPYZGRZHL-UHFFFAOYSA-N
XLogP4.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)pentan-3-amine?
The IUPAC name of 3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)pentan-3-amine (CID 79803543) is 3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)pentan-3-amine.
What is the SMILES notation for 3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)pentan-3-amine?
The canonical SMILES for 3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)pentan-3-amine is CCC(N)(CC)c1nc2cccc(Cl)c2n1C1CC1.
What is the InChIKey of 3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)pentan-3-amine?
The InChIKey is FQWWVPPYZGRZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-3-15(17,4-2)14-18-12-7-5-6-11(16)13(12)19(14)10-8-9-10/h5-7,10H,3-4,8-9,17H2,1-2H3.
What are the key properties of 3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)pentan-3-amine?
3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)pentan-3-amine has a molecular weight of 277.80 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)pentan-3-amine is sourced from PubChem (CID 79803543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).