2-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide

C16H13BrN4O2 — CID 91961335

IUPAC2-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(CNC(=O)c2cc3oc(Br)cc3[nH]2)nc2ccccc21
InChIInChI=1S/C16H13BrN4O2/c1-21-12-5-3-2-4-9(12)20-15(21)8-18-16(22)11-6-13-10(19-11)7-14(17)23-13/h2-7,19H,8H2,1H3,(H,18,22)
InChIKeyCLBBPUFGBGQMBD-UHFFFAOYSA-N
MW373.21 g/mol
LogP3.34
Rot. Bonds3

About 2-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide

2-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 91961335) has the molecular formula C16H13BrN4O2 and a molecular weight of 373.21 g/mol. Its IUPAC name is 2-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide
PubChem CID91961335
Molecular FormulaC16H13BrN4O2
Molecular Weight373.21 g/mol
Exact Mass372.02
IUPAC Name2-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(CNC(=O)c2cc3oc(Br)cc3[nH]2)nc2ccccc21
InChIInChI=1S/C16H13BrN4O2/c1-21-12-5-3-2-4-9(12)20-15(21)8-18-16(22)11-6-13-10(19-11)7-14(17)23-13/h2-7,19H,8H2,1H3,(H,18,22)
InChIKeyCLBBPUFGBGQMBD-UHFFFAOYSA-N
XLogP3.34
TPSA75.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 126797185
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3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]benzoic acid
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2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
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CID 17007407
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726
1-benzyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrole-2-carboxamide
CID 134022967
5,6-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide
CID 71827682
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
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CID 47012390
4-(3,5-dimethylpyrazol-1-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 27677632
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pent-2-enamide
CID 76861363

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide (CID 91961335) is 2-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide is Cn1c(CNC(=O)c2cc3oc(Br)cc3[nH]2)nc2ccccc21.
What is the InChIKey of 2-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is CLBBPUFGBGQMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O2/c1-21-12-5-3-2-4-9(12)20-15(21)8-18-16(22)11-6-13-10(19-11)7-14(17)23-13/h2-7,19H,8H2,1H3,(H,18,22).
What are the key properties of 2-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
2-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 373.21 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 91961335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).