N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2-(ethylamino)pyrimidine-5-carboxamide

C19H24N6O — CID 72875953

IUPACN-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2-(ethylamino)pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCCCc2nc3c(C)c(C)ccc3[nH]2)cn1
InChIInChI=1S/C19H24N6O/c1-4-20-19-22-10-14(11-23-19)18(26)21-9-5-6-16-24-15-8-7-12(2)13(3)17(15)25-16/h7-8,10-11H,4-6,9H2,1-3H3,(H,21,26)(H,24,25)(H,20,22,23)
InChIKeyHVWYZIUFAXAJSU-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.76
Rot. Bonds7

About N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2-(ethylamino)pyrimidine-5-carboxamide

N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2-(ethylamino)pyrimidine-5-carboxamide (PubChem CID 72875953) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2-(ethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2-(ethylamino)pyrimidine-5-carboxamide
PubChem CID72875953
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC NameN-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2-(ethylamino)pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCCCc2nc3c(C)c(C)ccc3[nH]2)cn1
InChIInChI=1S/C19H24N6O/c1-4-20-19-22-10-14(11-23-19)18(26)21-9-5-6-16-24-15-8-7-12(2)13(3)17(15)25-16/h7-8,10-11H,4-6,9H2,1-3H3,(H,21,26)(H,24,25)(H,20,22,23)
InChIKeyHVWYZIUFAXAJSU-UHFFFAOYSA-N
XLogP2.76
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethyl-2-octyl-1H-benzimidazole
CID 54123054
(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
N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146039372
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 72842739
N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56911145
N-[(2,5-dimethylphenyl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 72916632
N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 118773762
2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide
CID 50985156
N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]methanesulfonamide
CID 131934944
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 91789595

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2-(ethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2-(ethylamino)pyrimidine-5-carboxamide (CID 72875953) is N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2-(ethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2-(ethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2-(ethylamino)pyrimidine-5-carboxamide is CCNc1ncc(C(=O)NCCCc2nc3c(C)c(C)ccc3[nH]2)cn1.
What is the InChIKey of N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2-(ethylamino)pyrimidine-5-carboxamide?
The InChIKey is HVWYZIUFAXAJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-4-20-19-22-10-14(11-23-19)18(26)21-9-5-6-16-24-15-8-7-12(2)13(3)17(15)25-16/h7-8,10-11H,4-6,9H2,1-3H3,(H,21,26)(H,24,25)(H,20,22,23).
What are the key properties of N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2-(ethylamino)pyrimidine-5-carboxamide?
N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2-(ethylamino)pyrimidine-5-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2-(ethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 72875953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).