2-[1-[(4-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole

C19H18BrN3 — CID 22100958

IUPAC2-[1-[(4-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole
SMILESBrc1ccc(CN2CC=C(c3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C19H18BrN3/c20-16-7-5-14(6-8-16)13-23-11-9-15(10-12-23)19-21-17-3-1-2-4-18(17)22-19/h1-9H,10-13H2,(H,21,22)
InChIKeyXTSIDTOICPZEQP-UHFFFAOYSA-N
MW368.28 g/mol
LogP4.61
Rot. Bonds3

About 2-[1-[(4-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole

2-[1-[(4-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole (PubChem CID 22100958) has the molecular formula C19H18BrN3 and a molecular weight of 368.28 g/mol. Its IUPAC name is 2-[1-[(4-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[(4-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole
PubChem CID22100958
Molecular FormulaC19H18BrN3
Molecular Weight368.28 g/mol
Exact Mass367.07
IUPAC Name2-[1-[(4-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole
SMILESBrc1ccc(CN2CC=C(c3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C19H18BrN3/c20-16-7-5-14(6-8-16)13-23-11-9-15(10-12-23)19-21-17-3-1-2-4-18(17)22-19/h1-9H,10-13H2,(H,21,22)
InChIKeyXTSIDTOICPZEQP-UHFFFAOYSA-N
XLogP4.61
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-[(4-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole (CID 22100958) is 2-[1-[(4-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-[(4-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-[(4-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole is Brc1ccc(CN2CC=C(c3nc4ccccc4[nH]3)CC2)cc1.
What is the InChIKey of 2-[1-[(4-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole?
The InChIKey is XTSIDTOICPZEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3/c20-16-7-5-14(6-8-16)13-23-11-9-15(10-12-23)19-21-17-3-1-2-4-18(17)22-19/h1-9H,10-13H2,(H,21,22).
What are the key properties of 2-[1-[(4-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole?
2-[1-[(4-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole has a molecular weight of 368.28 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 22100958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).