3-[(2R)-2-imidazol-1-ylpropyl]-1-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-methylurea

C18H24N6O2 — CID 125442242

IUPAC3-[(2R)-2-imidazol-1-ylpropyl]-1-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-methylurea
SMILESCOc1ccc2nc(CCN(C)C(=O)NC[C@@H](C)n3ccnc3)[nH]c2c1
InChIInChI=1S/C18H24N6O2/c1-13(24-9-7-19-12-24)11-20-18(25)23(2)8-6-17-21-15-5-4-14(26-3)10-16(15)22-17/h4-5,7,9-10,12-13H,6,8,11H2,1-3H3,(H,20,25)(H,21,22)/t13-/m1/s1
InChIKeyODRGDYFHICLCKH-CYBMUJFWSA-N
MW356.43 g/mol
LogP2.21
Rot. Bonds7

About 3-[(2R)-2-imidazol-1-ylpropyl]-1-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-methylurea

3-[(2R)-2-imidazol-1-ylpropyl]-1-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-methylurea (PubChem CID 125442242) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[(2R)-2-imidazol-1-ylpropyl]-1-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-[(2R)-2-imidazol-1-ylpropyl]-1-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-methylurea
PubChem CID125442242
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name3-[(2R)-2-imidazol-1-ylpropyl]-1-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-methylurea
SMILESCOc1ccc2nc(CCN(C)C(=O)NC[C@@H](C)n3ccnc3)[nH]c2c1
InChIInChI=1S/C18H24N6O2/c1-13(24-9-7-19-12-24)11-20-18(25)23(2)8-6-17-21-15-5-4-14(26-3)10-16(15)22-17/h4-5,7,9-10,12-13H,6,8,11H2,1-3H3,(H,20,25)(H,21,22)/t13-/m1/s1
InChIKeyODRGDYFHICLCKH-CYBMUJFWSA-N
XLogP2.21
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylpropanamide
CID 90649076
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)benzamide
CID 131947626
2-(2,4-dimethoxyphenyl)-N-(2-imidazol-1-ylpropyl)acetamide
CID 91841839
(2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125172872
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 90649915
6-imidazol-1-yl-2-[(4-methoxyphenoxy)methyl]-1H-benzimidazole;dihydrochloride
CID 19348089
1-cyclopropyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 70728714
methyl 2-(4-fluorophenyl)-5-[3-(6-methoxy-1H-benzimidazol-2-yl)propyl-methylamino]-2-propan-2-ylpentanoate
CID 46183481
4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine
CID 65018041
3-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]propanoic acid
CID 82336086
1-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-methyl-3-[(2S)-2-morpholin-4-ylbutyl]urea
CID 125435743
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-imidazol-1-ylpropyl]-1-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-methylurea?
The IUPAC name of 3-[(2R)-2-imidazol-1-ylpropyl]-1-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-methylurea (CID 125442242) is 3-[(2R)-2-imidazol-1-ylpropyl]-1-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-methylurea.
What is the SMILES notation for 3-[(2R)-2-imidazol-1-ylpropyl]-1-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-methylurea?
The canonical SMILES for 3-[(2R)-2-imidazol-1-ylpropyl]-1-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-methylurea is COc1ccc2nc(CCN(C)C(=O)NC[C@@H](C)n3ccnc3)[nH]c2c1.
What is the InChIKey of 3-[(2R)-2-imidazol-1-ylpropyl]-1-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-methylurea?
The InChIKey is ODRGDYFHICLCKH-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-13(24-9-7-19-12-24)11-20-18(25)23(2)8-6-17-21-15-5-4-14(26-3)10-16(15)22-17/h4-5,7,9-10,12-13H,6,8,11H2,1-3H3,(H,20,25)(H,21,22)/t13-/m1/s1.
What are the key properties of 3-[(2R)-2-imidazol-1-ylpropyl]-1-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-methylurea?
3-[(2R)-2-imidazol-1-ylpropyl]-1-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-methylurea has a molecular weight of 356.43 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-imidazol-1-ylpropyl]-1-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-methylurea is sourced from PubChem (CID 125442242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).