1-[3-(1H-benzimidazol-2-yl)propyl]-3-pyridin-3-ylurea

C16H17N5O — CID 51324851

IUPAC1-[3-(1H-benzimidazol-2-yl)propyl]-3-pyridin-3-ylurea
SMILESO=C(NCCCc1nc2ccccc2[nH]1)Nc1cccnc1
InChIInChI=1S/C16H17N5O/c22-16(19-12-5-3-9-17-11-12)18-10-4-8-15-20-13-6-1-2-7-14(13)21-15/h1-3,5-7,9,11H,4,8,10H2,(H,20,21)(H2,18,19,22)
InChIKeyUAUGENAEMURYJH-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.71
Rot. Bonds5

About 1-[3-(1H-benzimidazol-2-yl)propyl]-3-pyridin-3-ylurea

1-[3-(1H-benzimidazol-2-yl)propyl]-3-pyridin-3-ylurea (PubChem CID 51324851) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-[3-(1H-benzimidazol-2-yl)propyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[3-(1H-benzimidazol-2-yl)propyl]-3-pyridin-3-ylurea
PubChem CID51324851
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name1-[3-(1H-benzimidazol-2-yl)propyl]-3-pyridin-3-ylurea
SMILESO=C(NCCCc1nc2ccccc2[nH]1)Nc1cccnc1
InChIInChI=1S/C16H17N5O/c22-16(19-12-5-3-9-17-11-12)18-10-4-8-15-20-13-6-1-2-7-14(13)21-15/h1-3,5-7,9,11H,4,8,10H2,(H,20,21)(H2,18,19,22)
InChIKeyUAUGENAEMURYJH-UHFFFAOYSA-N
XLogP2.71
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.71
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
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea
CID 18129110
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
N-[2-(pyridin-3-ylamino)ethyl]-1H-benzimidazole-2-carboxamide
CID 56711500
1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119838245
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2-methoxyphenyl)methyl]urea
CID 24612830
N-[5-(1H-benzimidazol-2-yl)pentyl]-2-methylprop-2-enamide
CID 18783633
N-[3-(1H-benzimidazol-2-yl)propyl]-5-methyl-2H-triazole-4-carboxamide
CID 122564722
3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride
CID 120502679
trans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide
CID 29303561

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-benzimidazol-2-yl)propyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[3-(1H-benzimidazol-2-yl)propyl]-3-pyridin-3-ylurea (CID 51324851) is 1-[3-(1H-benzimidazol-2-yl)propyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[3-(1H-benzimidazol-2-yl)propyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[3-(1H-benzimidazol-2-yl)propyl]-3-pyridin-3-ylurea is O=C(NCCCc1nc2ccccc2[nH]1)Nc1cccnc1.
What is the InChIKey of 1-[3-(1H-benzimidazol-2-yl)propyl]-3-pyridin-3-ylurea?
The InChIKey is UAUGENAEMURYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c22-16(19-12-5-3-9-17-11-12)18-10-4-8-15-20-13-6-1-2-7-14(13)21-15/h1-3,5-7,9,11H,4,8,10H2,(H,20,21)(H2,18,19,22).
What are the key properties of 1-[3-(1H-benzimidazol-2-yl)propyl]-3-pyridin-3-ylurea?
1-[3-(1H-benzimidazol-2-yl)propyl]-3-pyridin-3-ylurea has a molecular weight of 295.35 g/mol, XLogP of 2.71, 5 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-pyridin-3-ylurea is sourced from PubChem (CID 51324851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).