5,5-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidin-3-amine

C15H22N4 — CID 115145923

IUPAC5,5-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidin-3-amine
SMILESCn1cnc2cc(CNC3CNC(C)(C)C3)ccc21
InChIInChI=1S/C15H22N4/c1-15(2)7-12(9-18-15)16-8-11-4-5-14-13(6-11)17-10-19(14)3/h4-6,10,12,16,18H,7-9H2,1-3H3
InChIKeyHJMNXIWMZXAFNA-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.80
Rot. Bonds3

About 5,5-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidin-3-amine

5,5-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidin-3-amine (PubChem CID 115145923) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 5,5-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidin-3-amine
PubChem CID115145923
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name5,5-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidin-3-amine
SMILESCn1cnc2cc(CNC3CNC(C)(C)C3)ccc21
InChIInChI=1S/C15H22N4/c1-15(2)7-12(9-18-15)16-8-11-4-5-14-13(6-11)17-10-19(14)3/h4-6,10,12,16,18H,7-9H2,1-3H3
InChIKeyHJMNXIWMZXAFNA-UHFFFAOYSA-N
XLogP1.80
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide
CID 115158890
N-[(4-methoxy-3-methylphenyl)methyl]-5,5-dimethylpyrrolidin-3-amine
CID 115145867
5,5-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidin-3-amine
CID 115145878
4,4-dimethyl-N-[[3-(3-methylbenzimidazol-5-yl)phenyl]methyl]cyclohexan-1-amine
CID 59474712
5,5-dimethyl-N-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine
CID 115145902
[1-[[(1-methylbenzimidazol-5-yl)methylamino]methyl]cyclopropyl]methanol
CID 115243491
(1-methylbenzimidazol-5-yl)methanethiol
CID 83529810
1-[(1-methylbenzimidazol-5-yl)methyl]-3-spiro[2.5]octan-2-ylurea
CID 139018215
methane;(1-methylbenzimidazol-5-yl)methanamine
CID 159204423
N-[2-(1-methylbenzimidazol-5-yl)ethyl]azetidine-3-carboxamide
CID 115159038
5,5-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine
CID 115145890
(5R,6R)-1-methyl-5-[(1-methylbenzimidazol-5-yl)methylamino]-6-(1-methylimidazol-2-yl)piperidin-2-one
CID 154761433

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 5,5-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidin-3-amine (CID 115145923) is 5,5-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 5,5-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 5,5-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidin-3-amine is Cn1cnc2cc(CNC3CNC(C)(C)C3)ccc21.
What is the InChIKey of 5,5-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidin-3-amine?
The InChIKey is HJMNXIWMZXAFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-15(2)7-12(9-18-15)16-8-11-4-5-14-13(6-11)17-10-19(14)3/h4-6,10,12,16,18H,7-9H2,1-3H3.
What are the key properties of 5,5-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidin-3-amine?
5,5-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidin-3-amine has a molecular weight of 258.37 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 115145923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).