6-methyl-2-[3-(6-methyl-3a,7a-dihydro-1H-benzimidazol-2-yl)propyl]-1H-benzimidazole

C19H22N4 — CID 145468255

IUPAC6-methyl-2-[3-(6-methyl-3a,7a-dihydro-1H-benzimidazol-2-yl)propyl]-1H-benzimidazole
SMILESCC1=CC2NC(CCCc3nc4ccc(C)cc4[nH]3)=NC2C=C1
InChIInChI=1S/C19H22N4/c1-12-6-8-14-16(10-12)22-18(20-14)4-3-5-19-21-15-9-7-13(2)11-17(15)23-19/h6-11,14,16H,3-5H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRPNZWMSVGXJGDW-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.45
Rot. Bonds4

About 6-methyl-2-[3-(6-methyl-3a,7a-dihydro-1H-benzimidazol-2-yl)propyl]-1H-benzimidazole

6-methyl-2-[3-(6-methyl-3a,7a-dihydro-1H-benzimidazol-2-yl)propyl]-1H-benzimidazole (PubChem CID 145468255) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 6-methyl-2-[3-(6-methyl-3a,7a-dihydro-1H-benzimidazol-2-yl)propyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-[3-(6-methyl-3a,7a-dihydro-1H-benzimidazol-2-yl)propyl]-1H-benzimidazole
PubChem CID145468255
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name6-methyl-2-[3-(6-methyl-3a,7a-dihydro-1H-benzimidazol-2-yl)propyl]-1H-benzimidazole
SMILESCC1=CC2NC(CCCc3nc4ccc(C)cc4[nH]3)=NC2C=C1
InChIInChI=1S/C19H22N4/c1-12-6-8-14-16(10-12)22-18(20-14)4-3-5-19-21-15-9-7-13(2)11-17(15)23-19/h6-11,14,16H,3-5H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRPNZWMSVGXJGDW-UHFFFAOYSA-N
XLogP3.45
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[3-(6-methyl-3a,7a-dihydro-1H-benzimidazol-2-yl)propyl]-1H-benzimidazole?
The IUPAC name of 6-methyl-2-[3-(6-methyl-3a,7a-dihydro-1H-benzimidazol-2-yl)propyl]-1H-benzimidazole (CID 145468255) is 6-methyl-2-[3-(6-methyl-3a,7a-dihydro-1H-benzimidazol-2-yl)propyl]-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-[3-(6-methyl-3a,7a-dihydro-1H-benzimidazol-2-yl)propyl]-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-[3-(6-methyl-3a,7a-dihydro-1H-benzimidazol-2-yl)propyl]-1H-benzimidazole is CC1=CC2NC(CCCc3nc4ccc(C)cc4[nH]3)=NC2C=C1.
What is the InChIKey of 6-methyl-2-[3-(6-methyl-3a,7a-dihydro-1H-benzimidazol-2-yl)propyl]-1H-benzimidazole?
The InChIKey is RPNZWMSVGXJGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-12-6-8-14-16(10-12)22-18(20-14)4-3-5-19-21-15-9-7-13(2)11-17(15)23-19/h6-11,14,16H,3-5H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 6-methyl-2-[3-(6-methyl-3a,7a-dihydro-1H-benzimidazol-2-yl)propyl]-1H-benzimidazole?
6-methyl-2-[3-(6-methyl-3a,7a-dihydro-1H-benzimidazol-2-yl)propyl]-1H-benzimidazole has a molecular weight of 306.41 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[3-(6-methyl-3a,7a-dihydro-1H-benzimidazol-2-yl)propyl]-1H-benzimidazole is sourced from PubChem (CID 145468255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).