CID 145418378

C18H18B2N4 — CID 145418378

IUPAC—
SMILES[B]N(Cc1nc2ccc(C)cc2n1[B])C1CCCc2cccnc21
InChIInChI=1S/C18H18B2N4/c1-12-7-8-14-16(10-12)24(20)17(22-14)11-23(19)15-6-2-4-13-5-3-9-21-18(13)15/h3,5,7-10,15H,2,4,6,11H2,1H3
InChIKeyVNPOHTHNNXTXOL-UHFFFAOYSA-N
MW311.99 g/mol
LogP2.63
Rot. Bonds3

About CID 145418378

CID 145418378 (PubChem CID 145418378) has the molecular formula C18H18B2N4 and a molecular weight of 311.99 g/mol.

Molecular Properties

Compound NameCID 145418378
PubChem CID145418378
Molecular FormulaC18H18B2N4
Molecular Weight311.99 g/mol
Exact Mass312.17
IUPAC Name—
SMILES[B]N(Cc1nc2ccc(C)cc2n1[B])C1CCCc2cccnc21
InChIInChI=1S/C18H18B2N4/c1-12-7-8-14-16(10-12)24(20)17(22-14)11-23(19)15-6-2-4-13-5-3-9-21-18(13)15/h3,5,7-10,15H,2,4,6,11H2,1H3
InChIKeyVNPOHTHNNXTXOL-UHFFFAOYSA-N
XLogP2.63
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.99
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 71106334
N-[[1-[4-(dimethylamino)but-2-enyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 69249245
2-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]acetic acid
CID 68868531
N-methyl-N-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11661361
N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 59176406
N-[[1-(5-aminopentyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 45484547
N-[[1-[4-(dimethylamino)but-2-ynyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11617982
N-methyl-N-[[1-[[2-(methylaminomethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 143187001
N-[[1-(2-imidazol-1-ylethyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11668169
N-methyl-N-[[1-[[(3S)-1-methylpiperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 140525984
N-methyl-N-[[1-[3-[methyl(pyridin-2-yl)amino]propyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 20846069
1-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hydrazine
CID 126714376

Frequently Asked Questions

What is the IUPAC name of CID 145418378?
The IUPAC name of CID 145418378 (CID 145418378) is not available.
What is the SMILES notation for CID 145418378?
The canonical SMILES for CID 145418378 is [B]N(Cc1nc2ccc(C)cc2n1[B])C1CCCc2cccnc21.
What is the InChIKey of CID 145418378?
The InChIKey is VNPOHTHNNXTXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18B2N4/c1-12-7-8-14-16(10-12)24(20)17(22-14)11-23(19)15-6-2-4-13-5-3-9-21-18(13)15/h3,5,7-10,15H,2,4,6,11H2,1H3.
What are the key properties of CID 145418378?
CID 145418378 has a molecular weight of 311.99 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145418378 is sourced from PubChem (CID 145418378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).