N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide

C20H25N5O — CID 118773762

IUPACN-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
SMILESCc1ccc2[nH]c(CCCNC(=O)C3(Cn4ccnc4)CC3)nc2c1C
InChIInChI=1S/C20H25N5O/c1-14-5-6-16-18(15(14)2)24-17(23-16)4-3-9-22-19(26)20(7-8-20)12-25-11-10-21-13-25/h5-6,10-11,13H,3-4,7-9,12H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyNOFNOBZNCUZBKK-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.91
Rot. Bonds7

About N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide

N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 118773762) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
PubChem CID118773762
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
SMILESCc1ccc2[nH]c(CCCNC(=O)C3(Cn4ccnc4)CC3)nc2c1C
InChIInChI=1S/C20H25N5O/c1-14-5-6-16-18(15(14)2)24-17(23-16)4-3-9-22-19(26)20(7-8-20)12-25-11-10-21-13-25/h5-6,10-11,13H,3-4,7-9,12H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyNOFNOBZNCUZBKK-UHFFFAOYSA-N
XLogP2.91
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
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

(2R)-N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97269122
N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-4-pyrazol-1-ylbutanamide
CID 91841705
(2R)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-imidazol-1-yl-3-methylbutan-2-amine
CID 95205742
N-(3-cyclopentyloxypropyl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 122555851
N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146039372
3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide
CID 90654010
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 118775927
1-(imidazol-1-ylmethyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 131951634
N-(3-hydroxy-3-methylbutan-2-yl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 131920217
(3R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-methylpiperazine-1-carboxamide
CID 122571426
1-(aminomethyl)-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide
CID 80588119
N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]methanesulfonamide
CID 131934944

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide (CID 118773762) is N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide is Cc1ccc2[nH]c(CCCNC(=O)C3(Cn4ccnc4)CC3)nc2c1C.
What is the InChIKey of N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is NOFNOBZNCUZBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14-5-6-16-18(15(14)2)24-17(23-16)4-3-9-22-19(26)20(7-8-20)12-25-11-10-21-13-25/h5-6,10-11,13H,3-4,7-9,12H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.91, 7 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]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 118773762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).