1-benzyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine

C21H26N4 — CID 113222196

IUPAC1-benzyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine
SMILESCc1nc2ccccc2n1CCNC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H26N4/c1-17-23-20-9-5-6-10-21(20)25(17)14-12-22-19-11-13-24(16-19)15-18-7-3-2-4-8-18/h2-10,19,22H,11-16H2,1H3
InChIKeyRFFNJWUHIMDCKY-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.21
Rot. Bonds6

About 1-benzyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine

1-benzyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine (PubChem CID 113222196) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 1-benzyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine
PubChem CID113222196
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name1-benzyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine
SMILESCc1nc2ccccc2n1CCNC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H26N4/c1-17-23-20-9-5-6-10-21(20)25(17)14-12-22-19-11-13-24(16-19)15-18-7-3-2-4-8-18/h2-10,19,22H,11-16H2,1H3
InChIKeyRFFNJWUHIMDCKY-UHFFFAOYSA-N
XLogP3.21
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine
CID 28712904
1,5-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine
CID 81302349
N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-4-amine
CID 43394941
N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-3-amine
CID 62871960
(3S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 28950125
N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxepan-4-amine
CID 65076508
1-benzyl-N-pent-3-ynylpyrrolidin-3-amine
CID 116642852
N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 43089230
1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine
CID 60694335
2,2-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine
CID 79864476
(3aR,6aS)-5-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine
CID 154806034
1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole
CID 21193036

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine (CID 113222196) is 1-benzyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine is Cc1nc2ccccc2n1CCNC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is RFFNJWUHIMDCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-17-23-20-9-5-6-10-21(20)25(17)14-12-22-19-11-13-24(16-19)15-18-7-3-2-4-8-18/h2-10,19,22H,11-16H2,1H3.
What are the key properties of 1-benzyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine?
1-benzyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 334.47 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 113222196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).