4,7-bis(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole

C19H18N2 — CID 59380760

IUPAC4,7-bis(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole
SMILESCC1=CC=C(c2ccc(C3=CC=C(C)C3)c3c2=NCN=3)C1
InChIInChI=1S/C19H18N2/c1-12-3-5-14(9-12)16-7-8-17(15-6-4-13(2)10-15)19-18(16)20-11-21-19/h3-8H,9-11H2,1-2H3
InChIKeyYXZGVMJWBMXMPP-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.36
Rot. Bonds2

About 4,7-bis(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole

4,7-bis(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole (PubChem CID 59380760) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4,7-bis(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole.

Molecular Properties

Compound Name4,7-bis(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole
PubChem CID59380760
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name4,7-bis(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole
SMILESCC1=CC=C(c2ccc(C3=CC=C(C)C3)c3c2=NCN=3)C1
InChIInChI=1S/C19H18N2/c1-12-3-5-14(9-12)16-7-8-17(15-6-4-13(2)10-15)19-18(16)20-11-21-19/h3-8H,9-11H2,1-2H3
InChIKeyYXZGVMJWBMXMPP-UHFFFAOYSA-N
XLogP3.36
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-bis(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole?
The IUPAC name of 4,7-bis(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole (CID 59380760) is 4,7-bis(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole.
What is the SMILES notation for 4,7-bis(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole?
The canonical SMILES for 4,7-bis(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole is CC1=CC=C(c2ccc(C3=CC=C(C)C3)c3c2=NCN=3)C1.
What is the InChIKey of 4,7-bis(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole?
The InChIKey is YXZGVMJWBMXMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-12-3-5-14(9-12)16-7-8-17(15-6-4-13(2)10-15)19-18(16)20-11-21-19/h3-8H,9-11H2,1-2H3.
What are the key properties of 4,7-bis(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole?
4,7-bis(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole has a molecular weight of 274.37 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole is sourced from PubChem (CID 59380760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).