4-amino-N-(1H-benzimidazol-2-yl)-1-ethylpyrrole-2-carboxamide

C14H15N5O — CID 63563293

IUPAC4-amino-N-(1H-benzimidazol-2-yl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C14H15N5O/c1-2-19-8-9(15)7-12(19)13(20)18-14-16-10-5-3-4-6-11(10)17-14/h3-8H,2,15H2,1H3,(H2,16,17,18,20)
InChIKeyBOCIBZNXSNBXCY-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.22
Rot. Bonds3

About 4-amino-N-(1H-benzimidazol-2-yl)-1-ethylpyrrole-2-carboxamide

4-amino-N-(1H-benzimidazol-2-yl)-1-ethylpyrrole-2-carboxamide (PubChem CID 63563293) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-amino-N-(1H-benzimidazol-2-yl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1H-benzimidazol-2-yl)-1-ethylpyrrole-2-carboxamide
PubChem CID63563293
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-amino-N-(1H-benzimidazol-2-yl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C14H15N5O/c1-2-19-8-9(15)7-12(19)13(20)18-14-16-10-5-3-4-6-11(10)17-14/h3-8H,2,15H2,1H3,(H2,16,17,18,20)
InChIKeyBOCIBZNXSNBXCY-UHFFFAOYSA-N
XLogP2.22
TPSA88.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 62060005
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CID 60698274
5-amino-N-(1H-benzimidazol-2-yl)pyridine-2-carboxamide
CID 81316691
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CID 12620222
4-amino-1-ethyl-N-(3-methyl-2-pyridinyl)pyrrole-2-carboxamide
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4-amino-1-ethyl-N-(2-sulfamoylphenyl)pyrrole-2-carboxamide
CID 61128385
N-(1H-benzimidazol-2-yl)undecanamide
CID 5093764
2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 63565075
2-amino-N-(1H-benzimidazol-2-yl)benzimidazole-1-carboxamide
CID 159257765
3-amino-N-(1H-benzimidazol-2-yl)-4,5-dichlorobenzamide
CID 63565379
2-amino-N-(1H-benzimidazol-2-yl)-6-chloropyridine-4-carboxamide
CID 62873677
N-(1H-benzimidazol-2-yl)-3-ethoxynaphthalene-2-carboxamide
CID 24505737

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1H-benzimidazol-2-yl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(1H-benzimidazol-2-yl)-1-ethylpyrrole-2-carboxamide (CID 63563293) is 4-amino-N-(1H-benzimidazol-2-yl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(1H-benzimidazol-2-yl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(1H-benzimidazol-2-yl)-1-ethylpyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of 4-amino-N-(1H-benzimidazol-2-yl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is BOCIBZNXSNBXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-2-19-8-9(15)7-12(19)13(20)18-14-16-10-5-3-4-6-11(10)17-14/h3-8H,2,15H2,1H3,(H2,16,17,18,20).
What are the key properties of 4-amino-N-(1H-benzimidazol-2-yl)-1-ethylpyrrole-2-carboxamide?
4-amino-N-(1H-benzimidazol-2-yl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1H-benzimidazol-2-yl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 63563293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).