7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide

C22H28N4O — CID 119863894

IUPAC7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide
SMILESCn1c(C(NC(=O)CCCCCCN)c2ccccc2)nc2ccccc21
InChIInChI=1S/C22H28N4O/c1-26-19-14-9-8-13-18(19)24-22(26)21(17-11-5-4-6-12-17)25-20(27)15-7-2-3-10-16-23/h4-6,8-9,11-14,21H,2-3,7,10,15-16,23H2,1H3,(H,25,27)
InChIKeyYCEZRSKOMUNSEX-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.69
Rot. Bonds9

About 7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide

7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide (PubChem CID 119863894) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide
PubChem CID119863894
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide
SMILESCn1c(C(NC(=O)CCCCCCN)c2ccccc2)nc2ccccc21
InChIInChI=1S/C22H28N4O/c1-26-19-14-9-8-13-18(19)24-22(26)21(17-11-5-4-6-12-17)25-20(27)15-7-2-3-10-16-23/h4-6,8-9,11-14,21H,2-3,7,10,15-16,23H2,1H3,(H,25,27)
InChIKeyYCEZRSKOMUNSEX-UHFFFAOYSA-N
XLogP3.69
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.69
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

N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-N',N'-dipropylpentanediamide
CID 56540206
2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide
CID 52535851
1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea
CID 86816785
7-amino-N-[(1-methylbenzimidazol-2-yl)methyl]heptanamide;dihydrochloride
CID 119834811
2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride
CID 119863897
N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]thiadiazole-5-carboxamide
CID 95234713
N-[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 94821546
N-methyl-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 3009976
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide
CID 98727973
methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate
CID 99613603
6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
CID 61275163
N-[2-[[(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]-3-nitrobenzamide
CID 56519413

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide?
The IUPAC name of 7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide (CID 119863894) is 7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide?
The canonical SMILES for 7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide is Cn1c(C(NC(=O)CCCCCCN)c2ccccc2)nc2ccccc21.
What is the InChIKey of 7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide?
The InChIKey is YCEZRSKOMUNSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-26-19-14-9-8-13-18(19)24-22(26)21(17-11-5-4-6-12-17)25-20(27)15-7-2-3-10-16-23/h4-6,8-9,11-14,21H,2-3,7,10,15-16,23H2,1H3,(H,25,27).
What are the key properties of 7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide?
7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide has a molecular weight of 364.49 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide is sourced from PubChem (CID 119863894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).