N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-4-pyrazol-1-ylbutanamide

C19H25N5O — CID 91841705

IUPACN-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-4-pyrazol-1-ylbutanamide
SMILESCc1ccc2[nH]c(CCCNC(=O)CCCn3cccn3)nc2c1C
InChIInChI=1S/C19H25N5O/c1-14-8-9-16-19(15(14)2)23-17(22-16)6-3-10-20-18(25)7-4-12-24-13-5-11-21-24/h5,8-9,11,13H,3-4,6-7,10,12H2,1-2H3,(H,20,25)(H,22,23)
InChIKeyJYUFUDXCCCJVKS-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.91
Rot. Bonds8

About N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-4-pyrazol-1-ylbutanamide

N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-4-pyrazol-1-ylbutanamide (PubChem CID 91841705) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-4-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-4-pyrazol-1-ylbutanamide
PubChem CID91841705
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-4-pyrazol-1-ylbutanamide
SMILESCc1ccc2[nH]c(CCCNC(=O)CCCn3cccn3)nc2c1C
InChIInChI=1S/C19H25N5O/c1-14-8-9-16-19(15(14)2)23-17(22-16)6-3-10-20-18(25)7-4-12-24-13-5-11-21-24/h5,8-9,11,13H,3-4,6-7,10,12H2,1-2H3,(H,20,25)(H,22,23)
InChIKeyJYUFUDXCCCJVKS-UHFFFAOYSA-N
XLogP2.91
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide
CID 90654010
(2R)-N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97269122
4,5-dimethyl-2-octyl-1H-benzimidazole
CID 54123054
N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 72875953
N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 118773762
4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 115738303
4-(4-methoxyphenoxy)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 37394128
7-amino-N-(3-pyrazol-1-ylpropyl)heptanamide;hydrochloride
CID 119709906
4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride
CID 119281865
N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-pyrazol-1-ylbutanamide
CID 71708879
3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 135101692
N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146039372

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-4-pyrazol-1-ylbutanamide?
The IUPAC name of N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-4-pyrazol-1-ylbutanamide (CID 91841705) is N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-4-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-4-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-4-pyrazol-1-ylbutanamide is Cc1ccc2[nH]c(CCCNC(=O)CCCn3cccn3)nc2c1C.
What is the InChIKey of N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-4-pyrazol-1-ylbutanamide?
The InChIKey is JYUFUDXCCCJVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-8-9-16-19(15(14)2)23-17(22-16)6-3-10-20-18(25)7-4-12-24-13-5-11-21-24/h5,8-9,11,13H,3-4,6-7,10,12H2,1-2H3,(H,20,25)(H,22,23).
What are the key properties of N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-4-pyrazol-1-ylbutanamide?
N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-4-pyrazol-1-ylbutanamide has a molecular weight of 339.44 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-4-pyrazol-1-ylbutanamide is sourced from PubChem (CID 91841705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).