N-[4-(1H-benzimidazol-2-ylmethylamino)butyl]acetamide

C14H20N4O — CID 126714287

IUPACN-[4-(1H-benzimidazol-2-ylmethylamino)butyl]acetamide
SMILESCC(=O)NCCCCNCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H20N4O/c1-11(19)16-9-5-4-8-15-10-14-17-12-6-2-3-7-13(12)18-14/h2-3,6-7,15H,4-5,8-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyBFQJPOPIPANLBG-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.57
Rot. Bonds7

About N-[4-(1H-benzimidazol-2-ylmethylamino)butyl]acetamide

N-[4-(1H-benzimidazol-2-ylmethylamino)butyl]acetamide (PubChem CID 126714287) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-ylmethylamino)butyl]acetamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-ylmethylamino)butyl]acetamide
PubChem CID126714287
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[4-(1H-benzimidazol-2-ylmethylamino)butyl]acetamide
SMILESCC(=O)NCCCCNCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H20N4O/c1-11(19)16-9-5-4-8-15-10-14-17-12-6-2-3-7-13(12)18-14/h2-3,6-7,15H,4-5,8-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyBFQJPOPIPANLBG-UHFFFAOYSA-N
XLogP1.57
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.57
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

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CID 15365342
N-(1H-benzimidazol-2-ylmethyl)-3-methoxypropan-1-amine
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N-[3-(1H-benzimidazol-2-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 138723232
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
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CID 18783633
2-(1H-benzimidazol-2-ylmethylamino)acetic acid
CID 1081236
2-(1H-benzimidazol-2-yl)-N-pentylacetamide
CID 67833301
1-(1H-benzimidazol-2-ylmethyl)-3-propylurea
CID 47120671
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
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CID 71627908

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-ylmethylamino)butyl]acetamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-ylmethylamino)butyl]acetamide (CID 126714287) is N-[4-(1H-benzimidazol-2-ylmethylamino)butyl]acetamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-ylmethylamino)butyl]acetamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-ylmethylamino)butyl]acetamide is CC(=O)NCCCCNCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-ylmethylamino)butyl]acetamide?
The InChIKey is BFQJPOPIPANLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11(19)16-9-5-4-8-15-10-14-17-12-6-2-3-7-13(12)18-14/h2-3,6-7,15H,4-5,8-10H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[4-(1H-benzimidazol-2-ylmethylamino)butyl]acetamide?
N-[4-(1H-benzimidazol-2-ylmethylamino)butyl]acetamide has a molecular weight of 260.34 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-ylmethylamino)butyl]acetamide is sourced from PubChem (CID 126714287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).