1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2-methoxyphenyl)methyl]urea

C19H22N4O2 — CID 24612830

IUPAC1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)NCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H22N4O2/c1-25-17-10-5-2-7-14(17)13-21-19(24)20-12-6-11-18-22-15-8-3-4-9-16(15)23-18/h2-5,7-10H,6,11-13H2,1H3,(H,22,23)(H2,20,21,24)
InChIKeyNLRSUVLXTYPVOR-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.00
Rot. Bonds7

About 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2-methoxyphenyl)methyl]urea

1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2-methoxyphenyl)methyl]urea (PubChem CID 24612830) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2-methoxyphenyl)methyl]urea
PubChem CID24612830
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)NCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H22N4O2/c1-25-17-10-5-2-7-14(17)13-21-19(24)20-12-6-11-18-22-15-8-3-4-9-16(15)23-18/h2-5,7-10H,6,11-13H2,1H3,(H,22,23)(H2,20,21,24)
InChIKeyNLRSUVLXTYPVOR-UHFFFAOYSA-N
XLogP3.00
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 30358126
N-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide
CID 18105005
1-hexyl-3-[(2-methoxyphenyl)methyl]urea
CID 30694177
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 24612843
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30358132
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71827980
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
1-(1H-benzimidazol-2-ylmethyl)-3-propylurea
CID 47120671
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368
3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride
CID 120502679
3-(1H-benzimidazol-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
CID 66528592

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2-methoxyphenyl)methyl]urea (CID 24612830) is 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CNC(=O)NCCCc1nc2ccccc2[nH]1.
What is the InChIKey of 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2-methoxyphenyl)methyl]urea?
The InChIKey is NLRSUVLXTYPVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-25-17-10-5-2-7-14(17)13-21-19(24)20-12-6-11-18-22-15-8-3-4-9-16(15)23-18/h2-5,7-10H,6,11-13H2,1H3,(H,22,23)(H2,20,21,24).
What are the key properties of 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2-methoxyphenyl)methyl]urea?
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2-methoxyphenyl)methyl]urea has a molecular weight of 338.41 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 24612830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).