1-(3-chlorophenyl)-5-imino-4-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrrol-3-ol

C18H15ClN4O2 — CID 136724483

IUPAC1-(3-chlorophenyl)-5-imino-4-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc3ccc(OC)cc3[nH]2)=C(O)CN1c1cccc(Cl)c1
InChIInChI=1S/C18H15ClN4O2/c1-25-12-5-6-13-14(8-12)22-18(21-13)16-15(24)9-23(17(16)20)11-4-2-3-10(19)7-11/h2-8,20,24H,9H2,1H3,(H,21,22)/b20-17-
InChIKeySJUABUULZUJFBA-JZJYNLBNSA-N
MW354.80 g/mol
LogP3.99
Rot. Bonds3

About 1-(3-chlorophenyl)-5-imino-4-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrrol-3-ol

1-(3-chlorophenyl)-5-imino-4-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrrol-3-ol (PubChem CID 136724483) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-imino-4-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrrol-3-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-imino-4-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrrol-3-ol
PubChem CID136724483
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name1-(3-chlorophenyl)-5-imino-4-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc3ccc(OC)cc3[nH]2)=C(O)CN1c1cccc(Cl)c1
InChIInChI=1S/C18H15ClN4O2/c1-25-12-5-6-13-14(8-12)22-18(21-13)16-15(24)9-23(17(16)20)11-4-2-3-10(19)7-11/h2-8,20,24H,9H2,1H3,(H,21,22)/b20-17-
InChIKeySJUABUULZUJFBA-JZJYNLBNSA-N
XLogP3.99
TPSA85.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-imino-4-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrrol-3-ol?
The IUPAC name of 1-(3-chlorophenyl)-5-imino-4-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrrol-3-ol (CID 136724483) is 1-(3-chlorophenyl)-5-imino-4-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrrol-3-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-5-imino-4-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrrol-3-ol?
The canonical SMILES for 1-(3-chlorophenyl)-5-imino-4-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrrol-3-ol is [H]/N=C1/C(c2nc3ccc(OC)cc3[nH]2)=C(O)CN1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-imino-4-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrrol-3-ol?
The InChIKey is SJUABUULZUJFBA-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-25-12-5-6-13-14(8-12)22-18(21-13)16-15(24)9-23(17(16)20)11-4-2-3-10(19)7-11/h2-8,20,24H,9H2,1H3,(H,21,22)/b20-17-.
What are the key properties of 1-(3-chlorophenyl)-5-imino-4-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrrol-3-ol?
1-(3-chlorophenyl)-5-imino-4-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrrol-3-ol has a molecular weight of 354.80 g/mol, XLogP of 3.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-imino-4-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrrol-3-ol is sourced from PubChem (CID 136724483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).