N-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]formamide

C13H17N3O — CID 19840426

IUPACN-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]formamide
SMILESCc1nc2ccc(C(C)(C)CNC=O)cc2[nH]1
InChIInChI=1S/C13H17N3O/c1-9-15-11-5-4-10(6-12(11)16-9)13(2,3)7-14-8-17/h4-6,8H,7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyNEWCNYQRADINEP-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.89
Rot. Bonds4

About N-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]formamide

N-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]formamide (PubChem CID 19840426) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]formamide.

Molecular Properties

Compound NameN-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]formamide
PubChem CID19840426
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]formamide
SMILESCc1nc2ccc(C(C)(C)CNC=O)cc2[nH]1
InChIInChI=1S/C13H17N3O/c1-9-15-11-5-4-10(6-12(11)16-9)13(2,3)7-14-8-17/h4-6,8H,7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyNEWCNYQRADINEP-UHFFFAOYSA-N
XLogP1.89
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]ethane-1,2-diamine
CID 115195642
N-[2-methyl-2-(2-quinolin-4-yl-3H-benzimidazol-5-yl)propyl]formamide
CID 14153031
N-[2-methyl-2-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]propyl]acetamide
CID 19840405
2,2-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)propane-1,3-diamine
CID 115199843
6-[cyclopropyl(difluoro)methyl]-2-methyl-1H-benzimidazole
CID 116841727
N-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760177
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol
CID 116928691
N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine
CID 115195888
N-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115260836
N-[3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enyl]acetamide
CID 169465629
6-chloro-2-methyl-1H-benzimidazole-5-carbaldehyde
CID 10081355
3-methyl-1-N-(2-methyl-3H-benzimidazol-5-yl)butane-1,3-diamine
CID 115200406

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]formamide?
The IUPAC name of N-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]formamide (CID 19840426) is N-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]formamide.
What is the SMILES notation for N-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]formamide?
The canonical SMILES for N-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]formamide is Cc1nc2ccc(C(C)(C)CNC=O)cc2[nH]1.
What is the InChIKey of N-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]formamide?
The InChIKey is NEWCNYQRADINEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-15-11-5-4-10(6-12(11)16-9)13(2,3)7-14-8-17/h4-6,8H,7H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of N-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]formamide?
N-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]formamide has a molecular weight of 231.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]formamide is sourced from PubChem (CID 19840426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).