2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide

C19H20N4O2 — CID 11602470

IUPAC2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide
SMILESCN1CCC(Oc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)C1
InChIInChI=1S/C19H20N4O2/c1-23-9-8-15(11-23)25-14-5-2-12(3-6-14)19-21-16-7-4-13(18(20)24)10-17(16)22-19/h2-7,10,15H,8-9,11H2,1H3,(H2,20,24)(H,21,22)
InChIKeyATHMGOYFJBTTHP-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.41
Rot. Bonds4

About 2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide

2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11602470) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11602470
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide
SMILESCN1CCC(Oc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)C1
InChIInChI=1S/C19H20N4O2/c1-23-9-8-15(11-23)25-14-5-2-12(3-6-14)19-21-16-7-4-13(18(20)24)10-17(16)22-19/h2-7,10,15H,8-9,11H2,1H3,(H2,20,24)(H,21,22)
InChIKeyATHMGOYFJBTTHP-UHFFFAOYSA-N
XLogP2.41
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide (CID 11602470) is 2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide is CN1CCC(Oc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)C1.
What is the InChIKey of 2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is ATHMGOYFJBTTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-23-9-8-15(11-23)25-14-5-2-12(3-6-14)19-21-16-7-4-13(18(20)24)10-17(16)22-19/h2-7,10,15H,8-9,11H2,1H3,(H2,20,24)(H,21,22).
What are the key properties of 2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide?
2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11602470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).