1-(1H-benzimidazol-2-ylmethyl)-3-[(1-methylindazol-4-yl)methyl]urea

C18H18N6O — CID 167915157

IUPAC1-(1H-benzimidazol-2-ylmethyl)-3-[(1-methylindazol-4-yl)methyl]urea
SMILESCn1ncc2c(CNC(=O)NCc3nc4ccccc4[nH]3)cccc21
InChIInChI=1S/C18H18N6O/c1-24-16-8-4-5-12(13(16)10-21-24)9-19-18(25)20-11-17-22-14-6-2-3-7-15(14)23-17/h2-8,10H,9,11H2,1H3,(H,22,23)(H2,19,20,25)
InChIKeyZGCZFRGCXYGPGY-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.45
Rot. Bonds4

About 1-(1H-benzimidazol-2-ylmethyl)-3-[(1-methylindazol-4-yl)methyl]urea

1-(1H-benzimidazol-2-ylmethyl)-3-[(1-methylindazol-4-yl)methyl]urea (PubChem CID 167915157) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-ylmethyl)-3-[(1-methylindazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-ylmethyl)-3-[(1-methylindazol-4-yl)methyl]urea
PubChem CID167915157
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name1-(1H-benzimidazol-2-ylmethyl)-3-[(1-methylindazol-4-yl)methyl]urea
SMILESCn1ncc2c(CNC(=O)NCc3nc4ccccc4[nH]3)cccc21
InChIInChI=1S/C18H18N6O/c1-24-16-8-4-5-12(13(16)10-21-24)9-19-18(25)20-11-17-22-14-6-2-3-7-15(14)23-17/h2-8,10H,9,11H2,1H3,(H,22,23)(H2,19,20,25)
InChIKeyZGCZFRGCXYGPGY-UHFFFAOYSA-N
XLogP2.45
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(1H-benzimidazol-2-ylmethyl)-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 71829009
1-(1H-benzimidazol-2-ylmethyl)-3-(3-ethylphenyl)urea
CID 3844150
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Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-ylmethyl)-3-[(1-methylindazol-4-yl)methyl]urea?
The IUPAC name of 1-(1H-benzimidazol-2-ylmethyl)-3-[(1-methylindazol-4-yl)methyl]urea (CID 167915157) is 1-(1H-benzimidazol-2-ylmethyl)-3-[(1-methylindazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(1H-benzimidazol-2-ylmethyl)-3-[(1-methylindazol-4-yl)methyl]urea?
The canonical SMILES for 1-(1H-benzimidazol-2-ylmethyl)-3-[(1-methylindazol-4-yl)methyl]urea is Cn1ncc2c(CNC(=O)NCc3nc4ccccc4[nH]3)cccc21.
What is the InChIKey of 1-(1H-benzimidazol-2-ylmethyl)-3-[(1-methylindazol-4-yl)methyl]urea?
The InChIKey is ZGCZFRGCXYGPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-24-16-8-4-5-12(13(16)10-21-24)9-19-18(25)20-11-17-22-14-6-2-3-7-15(14)23-17/h2-8,10H,9,11H2,1H3,(H,22,23)(H2,19,20,25).
What are the key properties of 1-(1H-benzimidazol-2-ylmethyl)-3-[(1-methylindazol-4-yl)methyl]urea?
1-(1H-benzimidazol-2-ylmethyl)-3-[(1-methylindazol-4-yl)methyl]urea has a molecular weight of 334.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-ylmethyl)-3-[(1-methylindazol-4-yl)methyl]urea is sourced from PubChem (CID 167915157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).