N-butyl-N-[3-(5-chloro-2-pyrrolidin-2-ylbenzimidazol-1-yl)propyl]butan-1-amine

C22H35ClN4 — CID 46309726

IUPACN-butyl-N-[3-(5-chloro-2-pyrrolidin-2-ylbenzimidazol-1-yl)propyl]butan-1-amine
SMILESCCCCN(CCCC)CCCn1c(C2CCCN2)nc2cc(Cl)ccc21
InChIInChI=1S/C22H35ClN4/c1-3-5-13-26(14-6-4-2)15-8-16-27-21-11-10-18(23)17-20(21)25-22(27)19-9-7-12-24-19/h10-11,17,19,24H,3-9,12-16H2,1-2H3
InChIKeyIEIRDRLKHJLOJJ-UHFFFAOYSA-N
MW391.00 g/mol
LogP5.41
Rot. Bonds11

About N-butyl-N-[3-(5-chloro-2-pyrrolidin-2-ylbenzimidazol-1-yl)propyl]butan-1-amine

N-butyl-N-[3-(5-chloro-2-pyrrolidin-2-ylbenzimidazol-1-yl)propyl]butan-1-amine (PubChem CID 46309726) has the molecular formula C22H35ClN4 and a molecular weight of 391.00 g/mol. Its IUPAC name is N-butyl-N-[3-(5-chloro-2-pyrrolidin-2-ylbenzimidazol-1-yl)propyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[3-(5-chloro-2-pyrrolidin-2-ylbenzimidazol-1-yl)propyl]butan-1-amine
PubChem CID46309726
Molecular FormulaC22H35ClN4
Molecular Weight391.00 g/mol
Exact Mass390.26
IUPAC NameN-butyl-N-[3-(5-chloro-2-pyrrolidin-2-ylbenzimidazol-1-yl)propyl]butan-1-amine
SMILESCCCCN(CCCC)CCCn1c(C2CCCN2)nc2cc(Cl)ccc21
InChIInChI=1S/C22H35ClN4/c1-3-5-13-26(14-6-4-2)15-8-16-27-21-11-10-18(23)17-20(21)25-22(27)19-9-7-12-24-19/h10-11,17,19,24H,3-9,12-16H2,1-2H3
InChIKeyIEIRDRLKHJLOJJ-UHFFFAOYSA-N
XLogP5.41
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.00
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-[3-(6-chloro-2-cyclopropylbenzimidazol-1-yl)propyl]butan-1-amine
CID 46309665
1-hexyl-2-pyrrolidin-2-ylbenzimidazole
CID 175346334
2-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-N,N-diethylethanamine
CID 46309386
1-benzyl-6-chloro-2-pyrrolidin-2-ylbenzimidazole
CID 46311065
3-(6-chloro-2-cyclohexylbenzimidazol-1-yl)-N,N-diethylpropan-1-amine
CID 46308858
N-butyl-N-[3-[5-chloro-2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]propyl]butan-1-amine
CID 46309703
5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 61372509
3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol
CID 13105617
5-bromo-1-ethyl-2-piperidin-2-ylbenzimidazole
CID 60784120
1-(2-ethoxyethyl)-2-pyrrolidin-2-yl-5-(trifluoromethyl)benzimidazole
CID 46309308
3-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylpropan-1-amine
CID 46308838
3-[5-chloro-2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 46308852

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[3-(5-chloro-2-pyrrolidin-2-ylbenzimidazol-1-yl)propyl]butan-1-amine?
The IUPAC name of N-butyl-N-[3-(5-chloro-2-pyrrolidin-2-ylbenzimidazol-1-yl)propyl]butan-1-amine (CID 46309726) is N-butyl-N-[3-(5-chloro-2-pyrrolidin-2-ylbenzimidazol-1-yl)propyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[3-(5-chloro-2-pyrrolidin-2-ylbenzimidazol-1-yl)propyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[3-(5-chloro-2-pyrrolidin-2-ylbenzimidazol-1-yl)propyl]butan-1-amine is CCCCN(CCCC)CCCn1c(C2CCCN2)nc2cc(Cl)ccc21.
What is the InChIKey of N-butyl-N-[3-(5-chloro-2-pyrrolidin-2-ylbenzimidazol-1-yl)propyl]butan-1-amine?
The InChIKey is IEIRDRLKHJLOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35ClN4/c1-3-5-13-26(14-6-4-2)15-8-16-27-21-11-10-18(23)17-20(21)25-22(27)19-9-7-12-24-19/h10-11,17,19,24H,3-9,12-16H2,1-2H3.
What are the key properties of N-butyl-N-[3-(5-chloro-2-pyrrolidin-2-ylbenzimidazol-1-yl)propyl]butan-1-amine?
N-butyl-N-[3-(5-chloro-2-pyrrolidin-2-ylbenzimidazol-1-yl)propyl]butan-1-amine has a molecular weight of 391.00 g/mol, XLogP of 5.41, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[3-(5-chloro-2-pyrrolidin-2-ylbenzimidazol-1-yl)propyl]butan-1-amine is sourced from PubChem (CID 46309726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).