1,5-dibenzyl-4-(4-chlorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine

C27H25ClN2 — CID 11212113

IUPAC1,5-dibenzyl-4-(4-chlorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
SMILESClc1ccc(C2c3ccn(Cc4ccccc4)c3CCN2Cc2ccccc2)cc1
InChIInChI=1S/C27H25ClN2/c28-24-13-11-23(12-14-24)27-25-15-17-29(19-21-7-3-1-4-8-21)26(25)16-18-30(27)20-22-9-5-2-6-10-22/h1-15,17,27H,16,18-20H2
InChIKeyQTYIFYIYOOUJKH-UHFFFAOYSA-N
MW412.96 g/mol
LogP6.34
Rot. Bonds5

About 1,5-dibenzyl-4-(4-chlorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine

1,5-dibenzyl-4-(4-chlorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine (PubChem CID 11212113) has the molecular formula C27H25ClN2 and a molecular weight of 412.96 g/mol. Its IUPAC name is 1,5-dibenzyl-4-(4-chlorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1,5-dibenzyl-4-(4-chlorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
PubChem CID11212113
Molecular FormulaC27H25ClN2
Molecular Weight412.96 g/mol
Exact Mass412.17
IUPAC Name1,5-dibenzyl-4-(4-chlorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
SMILESClc1ccc(C2c3ccn(Cc4ccccc4)c3CCN2Cc2ccccc2)cc1
InChIInChI=1S/C27H25ClN2/c28-24-13-11-23(12-14-24)27-25-15-17-29(19-21-7-3-1-4-8-21)26(25)16-18-30(27)20-22-9-5-2-6-10-22/h1-15,17,27H,16,18-20H2
InChIKeyQTYIFYIYOOUJKH-UHFFFAOYSA-N
XLogP6.34
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.96
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[(4-chlorophenyl)methyl]-2-phenylimidazolidine
CID 101217631
(1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 25389894
1,3-dibenzyl-2-[2-[(4-chlorophenyl)methoxy]phenyl]imidazolidine
CID 3953341
(NE)-N-[(2S)-1-benzyl-2-phenylpiperidin-3-ylidene]hydroxylamine
CID 139937819
1-benzyl-2-(4-chlorophenyl)piperazine
CID 22074529
1-[4-(2-chloroacetyl)piperazin-1-yl]-2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 42873398
1-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 174547872
(2S,3R,4S)-1-benzyl-4-(4-chlorophenyl)-2-methyl-3-prop-2-enylpiperidine
CID 62706754
5-benzyl-3-(4-chlorophenyl)-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110537338
2-benzyl-1-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
CID 46032623
1-benzyl-3-(4-chlorophenyl)piperidin-4-one
CID 18001162
(3S)-4-benzyl-3-phenylmorpholin-2-one
CID 15871960

Frequently Asked Questions

What is the IUPAC name of 1,5-dibenzyl-4-(4-chlorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 1,5-dibenzyl-4-(4-chlorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine (CID 11212113) is 1,5-dibenzyl-4-(4-chlorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1,5-dibenzyl-4-(4-chlorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 1,5-dibenzyl-4-(4-chlorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine is Clc1ccc(C2c3ccn(Cc4ccccc4)c3CCN2Cc2ccccc2)cc1.
What is the InChIKey of 1,5-dibenzyl-4-(4-chlorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
The InChIKey is QTYIFYIYOOUJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN2/c28-24-13-11-23(12-14-24)27-25-15-17-29(19-21-7-3-1-4-8-21)26(25)16-18-30(27)20-22-9-5-2-6-10-22/h1-15,17,27H,16,18-20H2.
What are the key properties of 1,5-dibenzyl-4-(4-chlorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
1,5-dibenzyl-4-(4-chlorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine has a molecular weight of 412.96 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibenzyl-4-(4-chlorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 11212113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).