N-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C24H31N5 — CID 11661075

IUPACN-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCC(Cn2c(CN(C)C3CCCc4cccnc43)nc3ccccc32)C1
InChIInChI=1S/C24H31N5/c1-27-14-12-18(15-27)16-29-21-10-4-3-9-20(21)26-23(29)17-28(2)22-11-5-7-19-8-6-13-25-24(19)22/h3-4,6,8-10,13,18,22H,5,7,11-12,14-17H2,1-2H3
InChIKeyNTSBJKADBVYMSM-UHFFFAOYSA-N
MW389.55 g/mol
LogP3.89
Rot. Bonds5

About N-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 11661075) has the molecular formula C24H31N5 and a molecular weight of 389.55 g/mol. Its IUPAC name is N-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID11661075
Molecular FormulaC24H31N5
Molecular Weight389.55 g/mol
Exact Mass389.26
IUPAC NameN-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCC(Cn2c(CN(C)C3CCCc4cccnc43)nc3ccccc32)C1
InChIInChI=1S/C24H31N5/c1-27-14-12-18(15-27)16-29-21-10-4-3-9-20(21)26-23(29)17-28(2)22-11-5-7-19-8-6-13-25-24(19)22/h3-4,6,8-10,13,18,22H,5,7,11-12,14-17H2,1-2H3
InChIKeyNTSBJKADBVYMSM-UHFFFAOYSA-N
XLogP3.89
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 11661075) is N-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CN1CCC(Cn2c(CN(C)C3CCCc4cccnc43)nc3ccccc32)C1.
What is the InChIKey of N-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is NTSBJKADBVYMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5/c1-27-14-12-18(15-27)16-29-21-10-4-3-9-20(21)26-23(29)17-28(2)22-11-5-7-19-8-6-13-25-24(19)22/h3-4,6,8-10,13,18,22H,5,7,11-12,14-17H2,1-2H3.
What are the key properties of N-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 389.55 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 11661075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).