1-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]-3-phenylurea

C20H23N5O — CID 1253604

IUPAC1-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]-3-phenylurea
SMILESCn1c(CN2CCCC2)nc2cc(NC(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C20H23N5O/c1-24-18-10-9-16(22-20(26)21-15-7-3-2-4-8-15)13-17(18)23-19(24)14-25-11-5-6-12-25/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H2,21,22,26)
InChIKeyZOXCBTXMYKDVLJ-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.81
Rot. Bonds4

About 1-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]-3-phenylurea

1-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]-3-phenylurea (PubChem CID 1253604) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]-3-phenylurea
PubChem CID1253604
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]-3-phenylurea
SMILESCn1c(CN2CCCC2)nc2cc(NC(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C20H23N5O/c1-24-18-10-9-16(22-20(26)21-15-7-3-2-4-8-15)13-17(18)23-19(24)14-25-11-5-6-12-25/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H2,21,22,26)
InChIKeyZOXCBTXMYKDVLJ-UHFFFAOYSA-N
XLogP3.81
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]-3-phenylurea?
The IUPAC name of 1-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]-3-phenylurea (CID 1253604) is 1-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]-3-phenylurea.
What is the SMILES notation for 1-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]-3-phenylurea?
The canonical SMILES for 1-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]-3-phenylurea is Cn1c(CN2CCCC2)nc2cc(NC(=O)Nc3ccccc3)ccc21.
What is the InChIKey of 1-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]-3-phenylurea?
The InChIKey is ZOXCBTXMYKDVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-24-18-10-9-16(22-20(26)21-15-7-3-2-4-8-15)13-17(18)23-19(24)14-25-11-5-6-12-25/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H2,21,22,26).
What are the key properties of 1-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]-3-phenylurea?
1-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]-3-phenylurea has a molecular weight of 349.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]-3-phenylurea is sourced from PubChem (CID 1253604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).