N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine

C22H23N5 — CID 58024864

IUPACN-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
SMILESCn1c(CN2CCC(Nc3cccc4cnccc34)C2)nc2ccccc21
InChIInChI=1S/C22H23N5/c1-26-21-8-3-2-6-20(21)25-22(26)15-27-12-10-17(14-27)24-19-7-4-5-16-13-23-11-9-18(16)19/h2-9,11,13,17,24H,10,12,14-15H2,1H3
InChIKeyDUHGMZDKJLERTM-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.81
Rot. Bonds4

About N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine

N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine (PubChem CID 58024864) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
PubChem CID58024864
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC NameN-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
SMILESCn1c(CN2CCC(Nc3cccc4cnccc34)C2)nc2ccccc21
InChIInChI=1S/C22H23N5/c1-26-21-8-3-2-6-20(21)25-22(26)15-27-12-10-17(14-27)24-19-7-4-5-16-13-23-11-9-18(16)19/h2-9,11,13,17,24H,10,12,14-15H2,1H3
InChIKeyDUHGMZDKJLERTM-UHFFFAOYSA-N
XLogP3.81
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
CID 10245294
N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine
CID 11722582
N-[1-(3-methylbutyl)pyrrolidin-3-yl]isoquinolin-5-amine
CID 71425512
N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine
CID 58024836
N-[1-(pyrimidin-4-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine
CID 58024880
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
CID 58024867
3-[[(3R)-3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]phenol
CID 44598899
1-[4-[[3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]propan-2-one
CID 59159098
N-[1-[(4-cyclopropylsulfanylphenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
CID 57479975
N-[(3R)-1-[(4-cyclopropylsulfanylphenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
CID 59799777
N-[[3-[[(3R)-3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methyl]acetamide
CID 58022467
methyl 3-[[3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]benzoate
CID 71465019

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine?
The IUPAC name of N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine (CID 58024864) is N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine.
What is the SMILES notation for N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine?
The canonical SMILES for N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine is Cn1c(CN2CCC(Nc3cccc4cnccc34)C2)nc2ccccc21.
What is the InChIKey of N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine?
The InChIKey is DUHGMZDKJLERTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c1-26-21-8-3-2-6-20(21)25-22(26)15-27-12-10-17(14-27)24-19-7-4-5-16-13-23-11-9-18(16)19/h2-9,11,13,17,24H,10,12,14-15H2,1H3.
What are the key properties of N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine?
N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine has a molecular weight of 357.46 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine is sourced from PubChem (CID 58024864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).