6-methyl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)butyl]-1H-benzimidazole

C19H20N4 — CID 156750965

IUPAC6-methyl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)butyl]-1H-benzimidazole
SMILESCc1ccc2nc(CCC(C)c3cc4ccncc4[nH]3)[nH]c2c1
InChIInChI=1S/C19H20N4/c1-12-3-5-15-17(9-12)23-19(22-15)6-4-13(2)16-10-14-7-8-20-11-18(14)21-16/h3,5,7-11,13,21H,4,6H2,1-2H3,(H,22,23)
InChIKeyMDIRUBHATOFXTJ-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.48
Rot. Bonds4

About 6-methyl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)butyl]-1H-benzimidazole

6-methyl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)butyl]-1H-benzimidazole (PubChem CID 156750965) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 6-methyl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)butyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)butyl]-1H-benzimidazole
PubChem CID156750965
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name6-methyl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)butyl]-1H-benzimidazole
SMILESCc1ccc2nc(CCC(C)c3cc4ccncc4[nH]3)[nH]c2c1
InChIInChI=1S/C19H20N4/c1-12-3-5-15-17(9-12)23-19(22-15)6-4-13(2)16-10-14-7-8-20-11-18(14)21-16/h3,5,7-11,13,21H,4,6H2,1-2H3,(H,22,23)
InChIKeyMDIRUBHATOFXTJ-UHFFFAOYSA-N
XLogP4.48
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 19195701
N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 45040735
6-methyl-2-(6-phenylhexyl)-1H-benzimidazole
CID 139625761
4-[1-(6-methyl-1H-benzimidazol-2-yl)propan-2-yl]aniline
CID 104501898
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclopentanamine
CID 82336914
6-propan-2-yl-2-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)propyl]-1H-pyrrolo[3,2-c]pyridine
CID 146339122
2-(cyclohexylmethyl)-6-methyl-1H-benzimidazole
CID 10082509
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336932
(3R,5R,8R,9R,10S,13R,14R,17S)-10,13-dimethyl-17-[(2S)-4-(6-methyl-1H-benzimidazol-2-yl)butan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 124915934
(3S,5R,8S,9R,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-4-(6-methyl-1H-benzimidazol-2-yl)butan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 11944964
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethanol
CID 102488846
4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride
CID 45156250

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)butyl]-1H-benzimidazole?
The IUPAC name of 6-methyl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)butyl]-1H-benzimidazole (CID 156750965) is 6-methyl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)butyl]-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)butyl]-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)butyl]-1H-benzimidazole is Cc1ccc2nc(CCC(C)c3cc4ccncc4[nH]3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)butyl]-1H-benzimidazole?
The InChIKey is MDIRUBHATOFXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-12-3-5-15-17(9-12)23-19(22-15)6-4-13(2)16-10-14-7-8-20-11-18(14)21-16/h3,5,7-11,13,21H,4,6H2,1-2H3,(H,22,23).
What are the key properties of 6-methyl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)butyl]-1H-benzimidazole?
6-methyl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)butyl]-1H-benzimidazole has a molecular weight of 304.40 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)butyl]-1H-benzimidazole is sourced from PubChem (CID 156750965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).