N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazol-2-amine

C19H22N4 — CID 67906630

IUPACN-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazol-2-amine
SMILESc1ccc(CCN2CCC(Nc3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C19H22N4/c1-2-6-15(7-3-1)10-12-23-13-11-16(14-23)20-19-21-17-8-4-5-9-18(17)22-19/h1-9,16H,10-14H2,(H2,20,21,22)
InChIKeyIBFAGOLOLYEQPS-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.29
Rot. Bonds5

About N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazol-2-amine

N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazol-2-amine (PubChem CID 67906630) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazol-2-amine
PubChem CID67906630
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC NameN-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazol-2-amine
SMILESc1ccc(CCN2CCC(Nc3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C19H22N4/c1-2-6-15(7-3-1)10-12-23-13-11-16(14-23)20-19-21-17-8-4-5-9-18(17)22-19/h1-9,16H,10-14H2,(H2,20,21,22)
InChIKeyIBFAGOLOLYEQPS-UHFFFAOYSA-N
XLogP3.29
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]-1H-benzimidazol-2-amine
CID 67906747
N-[4-[4-(1H-benzimidazol-2-ylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzamide
CID 54550389
N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-amine
CID 125135997
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 112822452
1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine
CID 61211753
2-[[1-(2-methylsulfonylethyl)piperidin-4-yl]amino]-3H-quinazolin-4-one
CID 137268392
1,1-dimethyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]hydrazine
CID 83004992
1-(2-phenylethyl)-N-(1H-pyrazol-4-yl)piperidin-4-amine
CID 60797118
N-(3-methylphenyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 61211943
4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one
CID 138676689
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 61212508

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazol-2-amine (CID 67906630) is N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazol-2-amine is c1ccc(CCN2CCC(Nc3nc4ccccc4[nH]3)C2)cc1.
What is the InChIKey of N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazol-2-amine?
The InChIKey is IBFAGOLOLYEQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-2-6-15(7-3-1)10-12-23-13-11-16(14-23)20-19-21-17-8-4-5-9-18(17)22-19/h1-9,16H,10-14H2,(H2,20,21,22).
What are the key properties of N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazol-2-amine?
N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazol-2-amine has a molecular weight of 306.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 67906630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).