N-butyl-N-[3-(6-chloro-2-cyclopropylbenzimidazol-1-yl)propyl]butan-1-amine

C21H32ClN3 — CID 46309665

IUPACN-butyl-N-[3-(6-chloro-2-cyclopropylbenzimidazol-1-yl)propyl]butan-1-amine
SMILESCCCCN(CCCC)CCCn1c(C2CC2)nc2ccc(Cl)cc21
InChIInChI=1S/C21H32ClN3/c1-3-5-12-24(13-6-4-2)14-7-15-25-20-16-18(22)10-11-19(20)23-21(25)17-8-9-17/h10-11,16-17H,3-9,12-15H2,1-2H3
InChIKeyFICKSRSGCHLHQX-UHFFFAOYSA-N
MW361.96 g/mol
LogP5.86
Rot. Bonds11

About N-butyl-N-[3-(6-chloro-2-cyclopropylbenzimidazol-1-yl)propyl]butan-1-amine

N-butyl-N-[3-(6-chloro-2-cyclopropylbenzimidazol-1-yl)propyl]butan-1-amine (PubChem CID 46309665) has the molecular formula C21H32ClN3 and a molecular weight of 361.96 g/mol. Its IUPAC name is N-butyl-N-[3-(6-chloro-2-cyclopropylbenzimidazol-1-yl)propyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[3-(6-chloro-2-cyclopropylbenzimidazol-1-yl)propyl]butan-1-amine
PubChem CID46309665
Molecular FormulaC21H32ClN3
Molecular Weight361.96 g/mol
Exact Mass361.23
IUPAC NameN-butyl-N-[3-(6-chloro-2-cyclopropylbenzimidazol-1-yl)propyl]butan-1-amine
SMILESCCCCN(CCCC)CCCn1c(C2CC2)nc2ccc(Cl)cc21
InChIInChI=1S/C21H32ClN3/c1-3-5-12-24(13-6-4-2)14-7-15-25-20-16-18(22)10-11-19(20)23-21(25)17-8-9-17/h10-11,16-17H,3-9,12-15H2,1-2H3
InChIKeyFICKSRSGCHLHQX-UHFFFAOYSA-N
XLogP5.86
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.96
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[3-(6-chloro-2-cyclopropylbenzimidazol-1-yl)propyl]butan-1-amine?
The IUPAC name of N-butyl-N-[3-(6-chloro-2-cyclopropylbenzimidazol-1-yl)propyl]butan-1-amine (CID 46309665) is N-butyl-N-[3-(6-chloro-2-cyclopropylbenzimidazol-1-yl)propyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[3-(6-chloro-2-cyclopropylbenzimidazol-1-yl)propyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[3-(6-chloro-2-cyclopropylbenzimidazol-1-yl)propyl]butan-1-amine is CCCCN(CCCC)CCCn1c(C2CC2)nc2ccc(Cl)cc21.
What is the InChIKey of N-butyl-N-[3-(6-chloro-2-cyclopropylbenzimidazol-1-yl)propyl]butan-1-amine?
The InChIKey is FICKSRSGCHLHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32ClN3/c1-3-5-12-24(13-6-4-2)14-7-15-25-20-16-18(22)10-11-19(20)23-21(25)17-8-9-17/h10-11,16-17H,3-9,12-15H2,1-2H3.
What are the key properties of N-butyl-N-[3-(6-chloro-2-cyclopropylbenzimidazol-1-yl)propyl]butan-1-amine?
N-butyl-N-[3-(6-chloro-2-cyclopropylbenzimidazol-1-yl)propyl]butan-1-amine has a molecular weight of 361.96 g/mol, XLogP of 5.86, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[3-(6-chloro-2-cyclopropylbenzimidazol-1-yl)propyl]butan-1-amine is sourced from PubChem (CID 46309665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).