N-[3-(1H-benzimidazol-2-ylamino)propyl]-3-methoxybenzamide

C18H20N4O2 — CID 122179106

IUPACN-[3-(1H-benzimidazol-2-ylamino)propyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCNc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C18H20N4O2/c1-24-14-7-4-6-13(12-14)17(23)19-10-5-11-20-18-21-15-8-2-3-9-16(15)22-18/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,23)(H2,20,21,22)
InChIKeyFVFJRSIATUYZPA-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.80
Rot. Bonds7

About N-[3-(1H-benzimidazol-2-ylamino)propyl]-3-methoxybenzamide

N-[3-(1H-benzimidazol-2-ylamino)propyl]-3-methoxybenzamide (PubChem CID 122179106) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-ylamino)propyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-ylamino)propyl]-3-methoxybenzamide
PubChem CID122179106
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[3-(1H-benzimidazol-2-ylamino)propyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCNc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C18H20N4O2/c1-24-14-7-4-6-13(12-14)17(23)19-10-5-11-20-18-21-15-8-2-3-9-16(15)22-18/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,23)(H2,20,21,22)
InChIKeyFVFJRSIATUYZPA-UHFFFAOYSA-N
XLogP2.80
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 710646
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CID 1511
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CID 10423087
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CID 11501187
CID 11501187
CID 11524997
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CID 24776346
CID 24776346
CID 24776347
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CID 24776351
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CID 52947420
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CID 72376211
CID 72376211
CID 854418
CID 854418

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-ylamino)propyl]-3-methoxybenzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-ylamino)propyl]-3-methoxybenzamide (CID 122179106) is N-[3-(1H-benzimidazol-2-ylamino)propyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-ylamino)propyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-ylamino)propyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCCNc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-ylamino)propyl]-3-methoxybenzamide?
The InChIKey is FVFJRSIATUYZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-24-14-7-4-6-13(12-14)17(23)19-10-5-11-20-18-21-15-8-2-3-9-16(15)22-18/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,23)(H2,20,21,22).
What are the key properties of N-[3-(1H-benzimidazol-2-ylamino)propyl]-3-methoxybenzamide?
N-[3-(1H-benzimidazol-2-ylamino)propyl]-3-methoxybenzamide has a molecular weight of 324.38 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-ylamino)propyl]-3-methoxybenzamide is sourced from PubChem (CID 122179106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).