(4-chlorophenyl)-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]methanone

C20H16ClN3O — CID 665250

IUPAC(4-chlorophenyl)-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]methanone
SMILESCn1cc(C(=O)c2ccc(Cl)cc2)cc1-c1nc2ccccc2n1C
InChIInChI=1S/C20H16ClN3O/c1-23-12-14(19(25)13-7-9-15(21)10-8-13)11-18(23)20-22-16-5-3-4-6-17(16)24(20)2/h3-12H,1-2H3
InChIKeyLKCLDBWNAGGALM-UHFFFAOYSA-N
MW349.82 g/mol
LogP4.46
Rot. Bonds3

About (4-chlorophenyl)-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]methanone

(4-chlorophenyl)-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]methanone (PubChem CID 665250) has the molecular formula C20H16ClN3O and a molecular weight of 349.82 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]methanone
PubChem CID665250
Molecular FormulaC20H16ClN3O
Molecular Weight349.82 g/mol
Exact Mass349.10
IUPAC Name(4-chlorophenyl)-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]methanone
SMILESCn1cc(C(=O)c2ccc(Cl)cc2)cc1-c1nc2ccccc2n1C
InChIInChI=1S/C20H16ClN3O/c1-23-12-14(19(25)13-7-9-15(21)10-8-13)11-18(23)20-22-16-5-3-4-6-17(16)24(20)2/h3-12H,1-2H3
InChIKeyLKCLDBWNAGGALM-UHFFFAOYSA-N
XLogP4.46
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 4595
CID 4595
CID 108000
CID 108000
CID 68647
CID 68647
CID 6918107
CID 6918107
CID 59774
CID 59774
CID 107999
CID 107999
CID 667538
CID 667538
CID 698135
CID 698135
CID 4442
CID 4442
CID 65939
CID 65939
CID 10552376
CID 10552376
CID 3776081
CID 3776081

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]methanone (CID 665250) is (4-chlorophenyl)-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]methanone is Cn1cc(C(=O)c2ccc(Cl)cc2)cc1-c1nc2ccccc2n1C.
What is the InChIKey of (4-chlorophenyl)-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]methanone?
The InChIKey is LKCLDBWNAGGALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O/c1-23-12-14(19(25)13-7-9-15(21)10-8-13)11-18(23)20-22-16-5-3-4-6-17(16)24(20)2/h3-12H,1-2H3.
What are the key properties of (4-chlorophenyl)-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]methanone?
(4-chlorophenyl)-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]methanone has a molecular weight of 349.82 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]methanone is sourced from PubChem (CID 665250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).