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

C17H19N9O — CID 146039372

IUPACN-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc2[nH]c(CCCNC(=O)c3cc(-n4cnnn4)n[nH]3)nc2c1C
InChIInChI=1S/C17H19N9O/c1-10-5-6-12-16(11(10)2)21-14(20-12)4-3-7-18-17(27)13-8-15(23-22-13)26-9-19-24-25-26/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,27)(H,20,21)(H,22,23)
InChIKeyZETZBJSBESRHOM-UHFFFAOYSA-N
MW365.40 g/mol
LogP1.24
Rot. Bonds6

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

N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide (PubChem CID 146039372) has the molecular formula C17H19N9O and a molecular weight of 365.40 g/mol. Its IUPAC name is N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
PubChem CID146039372
Molecular FormulaC17H19N9O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC NameN-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc2[nH]c(CCCNC(=O)c3cc(-n4cnnn4)n[nH]3)nc2c1C
InChIInChI=1S/C17H19N9O/c1-10-5-6-12-16(11(10)2)21-14(20-12)4-3-7-18-17(27)13-8-15(23-22-13)26-9-19-24-25-26/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,27)(H,20,21)(H,22,23)
InChIKeyZETZBJSBESRHOM-UHFFFAOYSA-N
XLogP1.24
TPSA130.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146037965
N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146041003
N-[3-(pyridin-3-ylamino)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146042205
N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 72875953
(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
4,5-dimethyl-2-octyl-1H-benzimidazole
CID 54123054
N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 118773762
N-[3-(1H-benzimidazol-2-yl)propyl]-5-methyl-2H-triazole-4-carboxamide
CID 122564722
3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide
CID 90654010
N-[3-(1H-benzimidazol-2-yl)propyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 71827608
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide (CID 146039372) is N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide is Cc1ccc2[nH]c(CCCNC(=O)c3cc(-n4cnnn4)n[nH]3)nc2c1C.
What is the InChIKey of N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is ZETZBJSBESRHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N9O/c1-10-5-6-12-16(11(10)2)21-14(20-12)4-3-7-18-17(27)13-8-15(23-22-13)26-9-19-24-25-26/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,27)(H,20,21)(H,22,23).
What are the key properties of N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 365.40 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 146039372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).